data_eztlite377s_a _audit_creation_method 'SHELXL-2016/6' _shelx_SHELXL_version_number '2016/6' _chemical_name_systematic ? _chemical_name_common 'eztlite' _chemical_melting_point ? _chemical_formula_moiety 'Pb2 Fe3 (Te O3)3 (S O4) O2 Cl' _chemical_formula_sum 'Cl3 Fe9 O45 Pb6 S3 Te9' _chemical_formula_weight 3816.72 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Te' 'Te' -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pb' 'Pb' -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system monoclinic _space_group_IT_number 8 _space_group_name_H-M_alt 'C m' _space_group_name_Hall 'C -2y' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' 'x, -y, z' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z' _cell_length_a 11.466(2) _cell_length_b 19.775(4) _cell_length_c 10.497(2) _cell_angle_alpha 90 _cell_angle_beta 102.62(3) _cell_angle_gamma 90 _cell_volume 2322.6(9) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 21811 _cell_measurement_theta_min 2.27 _cell_measurement_theta_max 20 _exptl_crystal_description 'fragment' _exptl_crystal_colour 'pale red' _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 5.458 _exptl_crystal_F_000 3306 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.005 _exptl_crystal_size_mid 0.005 _exptl_crystal_size_min 0.004 _exptl_absorpt_coefficient_mu 30.340 _shelx_estimated_absorpt_T_min 0.863 _shelx_estimated_absorpt_T_max 0.888 _exptl_absorpt_correction_type 'Multi-scan' _exptl_absorpt_correction_T_min 0.3354 _exptl_absorpt_correction_T_max 0.4346 _exptl_absorpt_process_details 'SADABS (Bruker, 2001)' _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type 'synchrotron' _diffrn_source 'synchrotron' _diffrn_measurement_device_type 'Dectris EigerX 16M' _diffrn_measurement_method '\f scan' _diffrn_detector_area_resol_mean 49.957 _diffrn_reflns_number 20859 _diffrn_reflns_av_unetI/netI 0.0656 _diffrn_reflns_av_R_equivalents 0.0496 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.988 _diffrn_reflns_theta_max 32.365 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.836 _diffrn_measured_fraction_theta_full 0.994 _diffrn_reflns_Laue_measured_fraction_max 0.836 _diffrn_reflns_Laue_measured_fraction_full 0.994 _diffrn_reflns_point_group_measured_fraction_max 0.823 _diffrn_reflns_point_group_measured_fraction_full 0.980 _reflns_number_total 7016 _reflns_number_gt 6519 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.966 _reflns_Friedel_fraction_max 0.810 _reflns_Friedel_fraction_full 0.965 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _computing_data_collection 'local program' _computing_cell_refinement 'XDS (Kabsch, 2010)' _computing_data_reduction 'XPREP (Bruker, 2001)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _computing_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)' _computing_molecular_graphics 'Crystalmaker (Palmer, 2009)' _computing_publication_material ? _refine_special_details ? _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0370P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens . _refine_ls_hydrogen_treatment undef _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_abs_structure_details ; Flack x determined using 2857 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.036(3) _chemical_absolute_configuration ? _refine_ls_number_reflns 7016 _refine_ls_number_parameters 364 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0392 _refine_ls_R_factor_gt 0.0360 _refine_ls_wR_factor_ref 0.0890 _refine_ls_wR_factor_gt 0.0877 _refine_ls_goodness_of_fit_ref 1.024 _refine_ls_restrained_S_all 1.023 _refine_ls_shift/su_max 0.021 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Pb01 Pb 0.84063(5) 0.85743(3) 0.10740(6) 0.01866(12) Uani 1 1 d . . . . . Pb02 Pb 0.24430(7) 0.500000 0.69945(8) 0.01829(16) Uani 1 2 d S T P . . Pb03 Pb 0.28460(6) 0.81719(3) 0.70074(6) 0.02516(15) Uani 1 1 d . . . . . Pb04 Pb 0.76100(11) 0.500000 0.11591(10) 0.0290(2) Uani 1 2 d S T P . . Te01 Te 0.55817(12) 0.500000 0.47256(13) 0.0137(2) Uani 1 2 d S T P . . Te02 Te 0.52463(9) 0.83267(5) 0.30840(10) 0.01521(18) Uani 1 1 d . . . . . Te03 Te 0.67213(9) 0.68887(5) 0.11770(9) 0.01432(18) Uani 1 1 d . . . . . Te04 Te 0.10965(12) 0.500000 0.11710(13) 0.0157(2) Uani 1 2 d S T P . . Te05 Te 0.89737(13) 0.500000 0.68452(13) 0.0161(2) Uani 1 2 d S T P . . Te06 Te 0.45145(9) 0.64745(5) 0.68838(9) 0.01505(18) Uani 1 1 d . . . . . Fe01 Fe 0.8121(2) 0.76824(11) 0.4079(2) 0.0122(3) Uani 1 1 d . . . . . Fe02 Fe 0.0083(3) 0.500000 0.4049(3) 0.0131(5) Uani 1 2 d S T P . . Fe03 Fe 0.55765(19) 0.66765(11) 0.4022(2) 0.0136(4) Uani 1 1 d . . . . . Fe04 Fe 0.2831(2) 0.57631(10) 0.4001(2) 0.0130(4) Uani 1 1 d . . . . . Fe05 Fe 0.78740(19) 0.59213(11) 0.4015(2) 0.0132(4) Uani 1 1 d . . . . . S01 S 0.4596(5) 0.500000 0.9864(6) 0.0187(10) Uani 1 2 d S T P . . S02 S 0.1266(5) 0.6686(2) 0.8152(5) 0.0301(9) Uani 1 1 d . . . . . Cl01 Cl 0.8939(7) 0.7461(4) -0.0435(7) 0.0427(18) Uani 0.75 1 d . . P . . Cl02 Cl 0.2222(9) 0.9213(5) 0.8655(8) 0.054(2) Uani 0.75 1 d . . P . . O1 O 0.4673(10) 0.8987(5) 0.4084(13) 0.020(2) Uani 1 1 d . . . . . O2 O 0.5696(10) 0.6460(6) 0.5900(11) 0.017(2) Uani 1 1 d . . . . . O3 O 0.4844(10) 0.7624(5) 0.4121(11) 0.0146(19) Uani 1 1 d . . . . . O4 O 0.4000(14) 0.500000 0.3785(15) 0.015(3) Uani 1 2 d S T P . . O5 O 0.6810(10) 0.8381(5) 0.4114(12) 0.017(2) Uani 1 1 d . . . . . O6 O 0.7358(10) 0.6850(5) 0.4407(9) 0.0106(18) Uani 1 1 d . . . . . O7 O 0.3899(10) 0.6436(5) 0.3588(11) 0.015(2) Uani 1 1 d . . . . . O8 O 0.8051(10) 0.5704(5) 0.5902(11) 0.016(2) Uani 1 1 d . . . . . O9 O 0.3630(11) 0.7185(5) 0.5992(11) 0.017(2) Uani 1 1 d . . . . . O10 O 0.1815(14) 0.500000 0.4410(14) 0.014(3) Uani 1 2 d S T P . . O11 O 0.3597(10) 0.5768(5) 0.5910(11) 0.015(2) Uani 1 1 d . . . . . O12 O 0.8221(13) 0.500000 0.3576(15) 0.013(3) Uani 1 2 d S T P . . O13 O 1.0203(15) 0.500000 0.5943(17) 0.023(3) Uani 1 2 d S T P . . O14 O 0.7642(12) 0.7595(6) 0.2112(12) 0.024(3) Uani 1 1 d . . . . . O15 O 0.7665(10) 0.6189(5) 0.2107(11) 0.016(2) Uani 1 1 d . . . . . O16 O 0.6081(9) 0.5700(5) 0.3751(10) 0.0134(19) Uani 1 1 d . . . . . O17 O 0.1974(11) 0.5715(6) 0.2132(12) 0.021(2) Uani 1 1 d . . . . . O18 O 0.5510(10) 0.6916(6) 0.2153(12) 0.018(2) Uani 1 1 d . . . . . O19 O -0.0107(16) 0.500000 0.2121(19) 0.039(6) Uani 1 2 d S T P . . O20 O 0.4491(19) 0.500000 0.841(2) 0.038(5) Uani 1 2 d S T P . . O21 O 0.3360(17) 0.500000 1.011(2) 0.031(4) Uani 1 2 d S T P . . O22 O 0.5273(13) 0.5603(7) 1.0458(13) 0.031(3) Uani 1 1 d . . . . . O23 O 0.0101(16) 0.6319(8) 0.7600(16) 0.042(4) Uani 1 1 d . . . . . O24 O 0.1194(13) 0.7397(8) 0.7636(15) 0.035(3) Uani 1 1 d . . . . . O25 O 0.2311(17) 0.6312(9) 0.789(2) 0.054(5) Uani 1 1 d . . . . . O26 O 0.1378(14) 0.6728(9) 0.9601(17) 0.040(4) Uani 1 1 d . . . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Pb01 0.0155(3) 0.0144(2) 0.0277(3) 0.0018(2) 0.0084(2) 0.0009(2) Pb02 0.0152(3) 0.0176(4) 0.0237(4) 0.000 0.0078(3) 0.000 Pb03 0.0316(3) 0.0166(3) 0.0287(3) -0.0006(2) 0.0094(3) 0.0055(2) Pb04 0.0445(6) 0.0165(4) 0.0270(4) 0.000 0.0102(4) 0.000 Te01 0.0119(5) 0.0095(5) 0.0212(6) 0.000 0.0071(5) 0.000 Te02 0.0130(4) 0.0098(4) 0.0245(4) 0.0003(3) 0.0074(3) -0.0004(3) Te03 0.0146(4) 0.0103(4) 0.0192(4) -0.0005(3) 0.0064(3) -0.0003(3) Te04 0.0137(6) 0.0144(6) 0.0203(6) 0.000 0.0063(5) 0.000 Te05 0.0132(6) 0.0167(6) 0.0190(6) 0.000 0.0047(5) 0.000 Te06 0.0164(4) 0.0104(4) 0.0195(4) -0.0002(3) 0.0065(4) 0.0009(3) Fe01 0.0105(8) 0.0076(7) 0.0202(9) -0.0001(7) 0.0069(7) -0.0005(7) Fe02 0.0106(12) 0.0081(11) 0.0229(14) 0.000 0.0087(10) 0.000 Fe03 0.0107(9) 0.0073(8) 0.0244(10) -0.0001(7) 0.0073(8) 0.0003(7) Fe04 0.0118(9) 0.0072(8) 0.0219(9) 0.0006(7) 0.0079(7) -0.0001(7) Fe05 0.0108(9) 0.0086(8) 0.0217(9) -0.0003(7) 0.0067(7) -0.0004(7) S01 0.017(2) 0.017(2) 0.023(3) 0.000 0.006(2) 0.000 S02 0.029(2) 0.026(2) 0.038(3) 0.0046(18) 0.0116(19) 0.0041(18) Cl01 0.032(3) 0.056(4) 0.037(3) -0.025(3) 0.001(3) 0.009(3) Cl02 0.066(6) 0.051(5) 0.050(4) -0.022(4) 0.027(4) -0.008(4) O1 0.008(4) 0.008(4) 0.047(7) -0.004(4) 0.011(5) 0.001(4) O2 0.013(5) 0.020(5) 0.019(5) 0.001(4) 0.009(4) 0.001(4) O3 0.014(5) 0.005(4) 0.030(5) 0.000(4) 0.016(4) -0.001(4) O4 0.017(7) 0.010(6) 0.019(7) 0.000 0.009(6) 0.000 O5 0.014(5) 0.005(4) 0.033(6) -0.003(4) 0.006(4) -0.004(4) O6 0.015(5) 0.006(4) 0.011(4) -0.003(3) 0.005(4) 0.002(3) O7 0.010(4) 0.013(5) 0.024(5) 0.001(4) 0.009(4) -0.003(4) O8 0.015(5) 0.010(4) 0.025(5) -0.001(4) 0.006(4) 0.008(4) O9 0.024(6) 0.008(4) 0.020(5) 0.001(4) 0.008(4) 0.004(4) O10 0.018(7) 0.013(6) 0.011(6) 0.000 0.006(5) 0.000 O11 0.017(5) 0.011(4) 0.018(5) 0.004(4) 0.005(4) -0.001(4) O12 0.007(6) 0.008(6) 0.028(7) 0.000 0.010(6) 0.000 O13 0.015(7) 0.026(8) 0.030(9) 0.000 0.008(7) 0.000 O14 0.032(7) 0.014(5) 0.026(6) -0.003(4) 0.004(5) -0.012(5) O15 0.017(5) 0.010(4) 0.023(5) 0.002(4) 0.009(4) 0.003(4) O16 0.014(5) 0.003(4) 0.025(5) 0.001(3) 0.010(4) -0.006(4) O17 0.025(6) 0.009(5) 0.029(6) -0.006(4) 0.008(5) 0.000(4) O18 0.015(5) 0.015(5) 0.024(5) 0.009(4) 0.006(4) 0.002(4) O19 0.009(7) 0.084(18) 0.029(9) 0.000 0.013(7) 0.000 O20 0.022(9) 0.053(13) 0.034(10) 0.000 -0.005(8) 0.000 O21 0.015(8) 0.041(11) 0.036(10) 0.000 0.007(7) 0.000 O22 0.032(7) 0.025(6) 0.036(7) -0.010(5) 0.008(6) -0.009(6) O23 0.043(9) 0.035(8) 0.048(9) -0.006(7) 0.010(7) -0.002(7) O24 0.028(7) 0.038(8) 0.041(8) 0.021(6) 0.009(6) 0.010(6) O25 0.041(10) 0.031(8) 0.101(15) 0.012(9) 0.037(10) 0.010(7) O26 0.031(8) 0.041(9) 0.046(9) 0.012(7) 0.007(7) -0.003(7) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pb01 O14 2.474(12) . ? Pb01 O26 2.566(16) 4_564 ? Pb01 O7 2.576(11) 4_565 ? Pb01 O17 2.589(12) 4_565 ? Pb01 O18 2.617(12) 4_565 ? Pb01 Cl01 2.855(7) . ? Pb01 O22 2.873(15) 4_564 ? Pb01 O21 2.992(7) 3_554 ? Pb01 O25 3.31(2) 4_564 ? Pb02 O11 2.451(11) 2_565 ? Pb02 O11 2.451(11) . ? Pb02 O20 2.49(2) . ? Pb02 O13 2.564(17) 1_455 ? Pb02 O10 2.651(14) . ? Pb02 O25 2.775(19) . ? Pb02 O25 2.775(19) 2_565 ? Pb02 O21 3.21(2) . ? Pb02 S01 3.452(6) . ? Pb03 O9 2.484(11) . ? Pb03 O8 2.542(11) 4_465 ? Pb03 O2 2.590(12) 4_465 ? Pb03 O24 2.630(15) . ? Pb03 O6 2.664(9) 4_465 ? Pb03 O23 2.716(18) 4_565 ? Pb03 Cl02 2.878(8) . ? Pb03 Cl01 2.979(6) 4_466 ? Pb03 Fe01 3.581(2) 4_465 ? Pb04 O12 2.480(16) . ? Pb04 O15 2.549(11) 2_565 ? Pb04 O15 2.549(11) . ? Pb04 O19 2.592(19) 1_655 ? Pb04 O22 2.877(15) 2_564 ? Pb04 O22 2.877(15) 1_554 ? Pb04 Cl02 3.003(7) 3_544 ? Pb04 Cl02 3.003(7) 4_564 ? Pb04 S01 3.426(6) 1_554 ? Te01 O4 1.866(16) . ? Te01 O16 1.884(10) . ? Te01 O16 1.884(10) 2_565 ? Te01 O2 3.130(11) . ? Te01 O2 3.130(11) 2_565 ? Te01 O8 3.154(12) . ? Te01 O8 3.154(12) 2_565 ? Te01 O11 3.204(11) 2_565 ? Te01 O11 3.204(11) . ? Te02 O1 1.882(11) . ? Te02 O5 1.884(12) . ? Te02 O3 1.884(10) . ? Te02 O18 2.992(12) . ? Te02 O17 3.063(12) 4_565 ? Te02 O15 3.066(12) 4_465 ? Te02 Fe03 3.406(2) . ? Te02 Fe04 3.421(2) 4_565 ? Te02 Fe05 3.424(2) 4_465 ? Te03 O14 1.891(11) . ? Te03 O15 1.891(11) . ? Te03 O18 1.898(12) . ? Te03 O22 3.040(13) 1_554 ? Te03 O26 3.176(18) 4_564 ? Te03 O6 3.310(9) . ? Te03 Fe01 3.490(3) . ? Te03 Cl01 3.512(7) 4_465 ? Te03 Cl01 3.535(9) . ? Te04 O19 1.871(17) . ? Te04 O17 1.893(11) 2_565 ? Te04 O17 1.893(11) . ? Te04 O21 3.04(2) 1_554 ? Te04 O10 3.318(14) . ? Te04 Fe02 3.466(4) . ? Te04 Fe04 3.532(3) 2_565 ? Te04 Fe04 3.532(3) . ? Te04 O4 3.824(16) . ? Te05 O13 1.862(17) . ? Te05 O8 1.892(10) . ? Te05 O8 1.892(10) 2_565 ? Te05 O23 2.943(17) 1_655 ? Te05 O23 2.943(16) 2_665 ? Te05 O12 3.351(16) . ? Te05 Cl02 3.425(10) 3_545 ? Te05 Cl02 3.425(9) 4_565 ? Te05 Fe02 3.445(4) 1_655 ? Te06 O9 1.861(11) . ? Te06 O2 1.875(11) . ? Te06 O11 1.906(11) . ? Te06 O24 2.940(14) 4_565 ? Te06 O25 2.962(18) . ? Te06 O20 3.330(11) . ? Te06 O7 3.377(11) . ? Te06 Fe01 3.456(3) 4_465 ? Te06 Fe03 3.502(3) . ? Fe01 O6 1.929(10) . ? Fe01 O9 1.982(11) 4_565 ? Fe01 O14 2.025(13) . ? Fe01 O5 2.047(11) . ? Fe01 O3 2.058(11) 4_565 ? Fe01 O7 2.075(11) 4_565 ? Fe02 O10 1.938(16) . ? Fe02 O13 1.962(18) 1_455 ? Fe02 O19 1.988(19) . ? Fe02 O1 2.059(11) 3_445 ? Fe02 O1 2.059(11) 4_465 ? Fe02 O12 2.083(15) 1_455 ? Fe03 O7 1.937(11) . ? Fe03 O2 1.993(12) . ? Fe03 O18 2.004(12) . ? Fe03 O6 2.023(11) . ? Fe03 O16 2.053(10) . ? Fe03 O3 2.065(10) . ? Fe04 O7 1.920(11) . ? Fe04 O17 1.995(12) . ? Fe04 O11 2.005(11) . ? Fe04 O10 2.009(10) . ? Fe04 O4 2.064(11) . ? Fe04 O5 2.076(10) 4_465 ? Fe05 O12 1.942(5) . ? Fe05 O8 1.993(12) . ? Fe05 O6 2.001(9) . ? Fe05 O15 2.034(12) . ? Fe05 O1 2.056(11) 4_565 ? Fe05 O16 2.061(11) . ? S01 O22 1.484(13) . ? S01 O22 1.484(13) 2_565 ? S01 O21 1.50(2) . ? S01 O20 1.50(2) . ? S02 O25 1.483(18) . ? S02 O26 1.500(18) . ? S02 O24 1.503(15) . ? S02 O23 1.520(18) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O14 Pb01 O26 73.8(5) . 4_564 ? O14 Pb01 O7 64.0(4) . 4_565 ? O26 Pb01 O7 125.6(5) 4_564 4_565 ? O14 Pb01 O17 85.3(4) . 4_565 ? O26 Pb01 O17 79.0(4) 4_564 4_565 ? O7 Pb01 O17 65.3(4) 4_565 4_565 ? O14 Pb01 O18 84.3(4) . 4_565 ? O26 Pb01 O18 143.4(4) 4_564 4_565 ? O7 Pb01 O18 65.1(3) 4_565 4_565 ? O17 Pb01 O18 128.8(4) 4_565 4_565 ? O14 Pb01 Cl01 77.3(3) . . ? O26 Pb01 Cl01 76.2(4) 4_564 . ? O7 Pb01 Cl01 122.5(3) 4_565 . ? O17 Pb01 Cl01 152.8(3) 4_565 . ? O18 Pb01 Cl01 70.5(3) 4_565 . ? O14 Pb01 O22 153.6(4) . 4_564 ? O26 Pb01 O22 128.2(5) 4_564 4_564 ? O7 Pb01 O22 103.2(4) 4_565 4_564 ? O17 Pb01 O22 111.3(4) 4_565 4_564 ? O18 Pb01 O22 69.3(4) 4_565 4_564 ? Cl01 Pb01 O22 92.9(3) . 4_564 ? O14 Pb01 O21 154.8(5) . 3_554 ? O26 Pb01 O21 94.0(5) 4_564 3_554 ? O7 Pb01 O21 109.7(4) 4_565 3_554 ? O17 Pb01 O21 70.5(5) 4_565 3_554 ? O18 Pb01 O21 116.3(4) 4_565 3_554 ? Cl01 Pb01 O21 122.0(4) . 3_554 ? O22 Pb01 O21 49.4(4) 4_564 3_554 ? O14 Pb01 O25 113.9(4) . 4_564 ? O26 Pb01 O25 46.7(5) 4_564 4_564 ? O7 Pb01 O25 170.0(4) 4_565 4_564 ? O17 Pb01 O25 105.0(4) 4_565 4_564 ? O18 Pb01 O25 124.9(4) 4_565 4_564 ? Cl01 Pb01 O25 64.7(3) . 4_564 ? O22 Pb01 O25 82.6(4) 4_564 4_564 ? O21 Pb01 O25 67.7(5) 3_554 4_564 ? O11 Pb02 O11 76.5(5) 2_565 . ? O11 Pb02 O20 75.1(5) 2_565 . ? O11 Pb02 O20 75.1(5) . . ? O11 Pb02 O13 113.1(4) 2_565 1_455 ? O11 Pb02 O13 113.1(4) . 1_455 ? O20 Pb02 O13 169.2(7) . 1_455 ? O11 Pb02 O10 65.1(4) 2_565 . ? O11 Pb02 O10 65.1(4) . . ? O20 Pb02 O10 128.4(6) . . ? O13 Pb02 O10 62.4(5) 1_455 . ? O11 Pb02 O25 144.2(5) 2_565 . ? O11 Pb02 O25 69.7(5) . . ? O20 Pb02 O25 84.9(5) . . ? O13 Pb02 O25 91.3(4) 1_455 . ? O10 Pb02 O25 108.9(5) . . ? O11 Pb02 O25 69.7(5) 2_565 2_565 ? O11 Pb02 O25 144.2(5) . 2_565 ? O20 Pb02 O25 84.9(5) . 2_565 ? O13 Pb02 O25 91.3(4) 1_455 2_565 ? O10 Pb02 O25 108.9(5) . 2_565 ? O25 Pb02 O25 138.4(9) . 2_565 ? O11 Pb02 O21 112.5(4) 2_565 . ? O11 Pb02 O21 112.5(4) . . ? O20 Pb02 O21 48.4(6) . . ? O13 Pb02 O21 120.9(5) 1_455 . ? O10 Pb02 O21 176.7(5) . . ? O25 Pb02 O21 71.6(5) . . ? O25 Pb02 O21 71.6(5) 2_565 . ? O11 Pb02 S01 92.8(3) 2_565 . ? O11 Pb02 S01 92.8(3) . . ? O20 Pb02 S01 22.8(5) . . ? O13 Pb02 S01 146.5(4) 1_455 . ? O10 Pb02 S01 151.1(4) . . ? O25 Pb02 S01 77.6(5) . . ? O25 Pb02 S01 77.6(5) 2_565 . ? O21 Pb02 S01 25.6(3) . . ? O9 Pb03 O8 114.4(4) . 4_465 ? O9 Pb03 O2 115.3(4) . 4_465 ? O8 Pb03 O2 73.9(4) 4_465 4_465 ? O9 Pb03 O24 89.9(4) . . ? O8 Pb03 O24 140.1(4) 4_465 . ? O2 Pb03 O24 67.0(4) 4_465 . ? O9 Pb03 O6 64.0(3) . 4_465 ? O8 Pb03 O6 64.3(3) 4_465 4_465 ? O2 Pb03 O6 65.1(3) 4_465 4_465 ? O24 Pb03 O6 104.2(4) . 4_465 ? O9 Pb03 O23 88.5(5) . 4_565 ? O8 Pb03 O23 66.6(4) 4_465 4_565 ? O2 Pb03 O23 139.8(4) 4_465 4_565 ? O24 Pb03 O23 149.3(5) . 4_565 ? O6 Pb03 O23 102.5(4) 4_465 4_565 ? O9 Pb03 Cl02 168.7(3) . . ? O8 Pb03 Cl02 73.1(3) 4_465 . ? O2 Pb03 Cl02 74.4(3) 4_465 . ? O24 Pb03 Cl02 88.8(4) . . ? O6 Pb03 Cl02 127.1(3) 4_465 . ? O23 Pb03 Cl02 86.9(4) 4_565 . ? O9 Pb03 Cl01 86.3(3) . 4_466 ? O8 Pb03 Cl01 135.7(3) 4_465 4_466 ? O2 Pb03 Cl01 134.0(3) 4_465 4_466 ? O24 Pb03 Cl01 73.3(3) . 4_466 ? O6 Pb03 Cl01 150.3(3) 4_465 4_466 ? O23 Pb03 Cl01 76.0(4) 4_565 4_466 ? Cl02 Pb03 Cl01 82.5(3) . 4_466 ? O9 Pb03 Fe01 32.1(3) . 4_465 ? O8 Pb03 Fe01 89.2(3) 4_465 4_465 ? O2 Pb03 Fe01 90.1(3) 4_465 4_465 ? O24 Pb03 Fe01 98.3(4) . 4_465 ? O6 Pb03 Fe01 31.9(2) 4_465 4_465 ? O23 Pb03 Fe01 96.5(4) 4_565 4_465 ? Cl02 Pb03 Fe01 159.0(2) . 4_465 ? Cl01 Pb03 Fe01 118.46(18) 4_466 4_465 ? O12 Pb04 O15 67.9(3) . 2_565 ? O12 Pb04 O15 67.9(3) . . ? O15 Pb04 O15 134.6(5) 2_565 . ? O12 Pb04 O19 64.3(5) . 1_655 ? O15 Pb04 O19 84.9(3) 2_565 1_655 ? O15 Pb04 O19 84.9(3) . 1_655 ? O12 Pb04 O22 107.5(4) . 2_564 ? O15 Pb04 O22 70.1(4) 2_565 2_564 ? O15 Pb04 O22 115.1(4) . 2_564 ? O19 Pb04 O22 154.7(3) 1_655 2_564 ? O12 Pb04 O22 107.5(4) . 1_554 ? O15 Pb04 O22 115.1(4) 2_565 1_554 ? O15 Pb04 O22 70.1(4) . 1_554 ? O19 Pb04 O22 154.7(3) 1_655 1_554 ? O22 Pb04 O22 49.0(5) 2_564 1_554 ? O12 Pb04 Cl02 148.2(2) . 3_544 ? O15 Pb04 Cl02 81.4(3) 2_565 3_544 ? O15 Pb04 Cl02 143.7(3) . 3_544 ? O19 Pb04 Cl02 106.5(4) 1_655 3_544 ? O22 Pb04 Cl02 67.0(3) 2_564 3_544 ? O22 Pb04 Cl02 92.3(3) 1_554 3_544 ? O12 Pb04 Cl02 148.2(2) . 4_564 ? O15 Pb04 Cl02 143.7(3) 2_565 4_564 ? O15 Pb04 Cl02 81.4(3) . 4_564 ? O19 Pb04 Cl02 106.5(4) 1_655 4_564 ? O22 Pb04 Cl02 92.3(3) 2_564 4_564 ? O22 Pb04 Cl02 67.0(3) 1_554 4_564 ? Cl02 Pb04 Cl02 62.4(4) 3_544 4_564 ? O12 Pb04 S01 116.2(3) . 1_554 ? O15 Pb04 S01 95.3(3) 2_565 1_554 ? O15 Pb04 S01 95.3(3) . 1_554 ? O19 Pb04 S01 179.6(4) 1_655 1_554 ? O22 Pb04 S01 25.4(3) 2_564 1_554 ? O22 Pb04 S01 25.4(3) 1_554 1_554 ? Cl02 Pb04 S01 73.1(2) 3_544 1_554 ? Cl02 Pb04 S01 73.1(2) 4_564 1_554 ? O4 Te01 O16 95.0(5) . . ? O4 Te01 O16 95.0(5) . 2_565 ? O16 Te01 O16 94.7(6) . 2_565 ? O4 Te01 O2 99.2(3) . . ? O16 Te01 O2 62.9(4) . . ? O16 Te01 O2 154.2(4) 2_565 . ? O4 Te01 O2 99.2(3) . 2_565 ? O16 Te01 O2 154.2(4) . 2_565 ? O16 Te01 O2 62.9(4) 2_565 2_565 ? O2 Te01 O2 134.5(4) . 2_565 ? O4 Te01 O8 153.2(2) . . ? O16 Te01 O8 62.3(4) . . ? O16 Te01 O8 100.6(4) 2_565 . ? O2 Te01 O8 58.8(3) . . ? O2 Te01 O8 107.2(3) 2_565 . ? O4 Te01 O8 153.2(2) . 2_565 ? O16 Te01 O8 100.6(4) . 2_565 ? O16 Te01 O8 62.3(4) 2_565 2_565 ? O2 Te01 O8 107.2(3) . 2_565 ? O2 Te01 O8 58.8(3) 2_565 2_565 ? O8 Te01 O8 52.4(4) . 2_565 ? O4 Te01 O11 61.0(4) . 2_565 ? O16 Te01 O11 152.2(4) . 2_565 ? O16 Te01 O11 100.8(4) 2_565 2_565 ? O2 Te01 O11 104.8(3) . 2_565 ? O2 Te01 O11 51.9(3) 2_565 2_565 ? O8 Te01 O11 135.2(3) . 2_565 ? O8 Te01 O11 107.0(3) 2_565 2_565 ? O4 Te01 O11 61.0(4) . . ? O16 Te01 O11 100.8(4) . . ? O16 Te01 O11 152.2(4) 2_565 . ? O2 Te01 O11 51.9(3) . . ? O2 Te01 O11 104.8(3) 2_565 . ? O8 Te01 O11 107.0(3) . . ? O8 Te01 O11 135.2(3) 2_565 . ? O11 Te01 O11 56.6(4) 2_565 . ? O1 Te02 O5 92.6(5) . . ? O1 Te02 O3 91.7(5) . . ? O5 Te02 O3 91.9(5) . . ? O1 Te02 O18 154.4(4) . . ? O5 Te02 O18 95.1(4) . . ? O3 Te02 O18 63.7(4) . . ? O1 Te02 O17 94.7(4) . 4_565 ? O5 Te02 O17 63.2(4) . 4_565 ? O3 Te02 O17 154.5(4) . 4_565 ? O18 Te02 O17 110.6(3) . 4_565 ? O1 Te02 O15 62.7(4) . 4_465 ? O5 Te02 O15 154.5(4) . 4_465 ? O3 Te02 O15 94.8(4) . 4_465 ? O18 Te02 O15 109.9(3) . 4_465 ? O17 Te02 O15 110.1(3) 4_565 4_465 ? O1 Te02 Fe03 122.3(4) . . ? O5 Te02 Fe03 81.8(3) . . ? O3 Te02 Fe03 32.0(3) . . ? O18 Te02 Fe03 35.8(2) . . ? O17 Te02 Fe03 130.4(2) 4_565 . ? O15 Te02 Fe03 115.7(2) 4_465 . ? O1 Te02 Fe04 82.2(3) . 4_565 ? O5 Te02 Fe04 31.9(3) . 4_565 ? O3 Te02 Fe04 122.1(4) . 4_565 ? O18 Te02 Fe04 116.0(2) . 4_565 ? O17 Te02 Fe04 35.3(2) 4_565 4_565 ? O15 Te02 Fe04 130.0(2) 4_465 4_565 ? Fe03 Te02 Fe04 112.84(6) . 4_565 ? O1 Te02 Fe05 31.1(3) . 4_465 ? O5 Te02 Fe05 121.8(4) . 4_465 ? O3 Te02 Fe05 81.1(3) . 4_465 ? O18 Te02 Fe05 129.9(2) . 4_465 ? O17 Te02 Fe05 115.8(2) 4_565 4_465 ? O15 Te02 Fe05 36.0(2) 4_465 4_465 ? Fe03 Te02 Fe05 112.25(6) . 4_465 ? Fe04 Te02 Fe05 112.61(6) 4_565 4_465 ? O14 Te03 O15 94.6(5) . . ? O14 Te03 O18 95.2(6) . . ? O15 Te03 O18 98.4(5) . . ? O14 Te03 O22 163.6(5) . 1_554 ? O15 Te03 O22 74.7(4) . 1_554 ? O18 Te03 O22 74.6(5) . 1_554 ? O14 Te03 O26 68.0(5) . 4_564 ? O15 Te03 O26 153.0(4) . 4_564 ? O18 Te03 O26 103.5(4) . 4_564 ? O22 Te03 O26 126.3(4) 1_554 4_564 ? O14 Te03 O6 60.8(4) . . ? O15 Te03 O6 58.7(4) . . ? O18 Te03 O6 58.1(4) . . ? O22 Te03 O6 102.8(3) 1_554 . ? O26 Te03 O6 121.9(3) 4_564 . ? O14 Te03 Fe01 28.0(4) . . ? O15 Te03 Fe01 77.1(3) . . ? O18 Te03 Fe01 76.5(4) . . ? O22 Te03 Fe01 135.6(3) 1_554 . ? O26 Te03 Fe01 92.8(3) 4_564 . ? O6 Te03 Fe01 32.82(17) . . ? O14 Te03 Cl01 109.0(4) . 4_465 ? O15 Te03 Cl01 150.9(4) . 4_465 ? O18 Te03 Cl01 63.6(4) . 4_465 ? O22 Te03 Cl01 78.3(3) 1_554 4_465 ? O26 Te03 Cl01 55.8(3) 4_564 4_465 ? O6 Te03 Cl01 118.4(2) . 4_465 ? Fe01 Te03 Cl01 116.87(15) . 4_465 ? O14 Te03 Cl01 68.5(4) . . ? O15 Te03 Cl01 95.2(4) . . ? O18 Te03 Cl01 159.5(4) . . ? O22 Te03 Cl01 124.1(3) 1_554 . ? O26 Te03 Cl01 59.7(3) 4_564 . ? O6 Te03 Cl01 118.5(2) . . ? Fe01 Te03 Cl01 91.86(11) . . ? Cl01 Te03 Cl01 108.95(15) 4_465 . ? O19 Te04 O17 94.8(5) . 2_565 ? O19 Te04 O17 94.8(5) . . ? O17 Te04 O17 96.6(7) 2_565 . ? O19 Te04 O21 169.6(7) . 1_554 ? O17 Te04 O21 78.3(5) 2_565 1_554 ? O17 Te04 O21 78.3(5) . 1_554 ? O19 Te04 O10 60.0(7) . . ? O17 Te04 O10 58.0(4) 2_565 . ? O17 Te04 O10 58.0(4) . . ? O21 Te04 O10 109.5(5) 1_554 . ? O19 Te04 Fe02 26.9(6) . . ? O17 Te04 Fe02 77.1(4) 2_565 . ? O17 Te04 Fe02 77.1(4) . . ? O21 Te04 Fe02 142.6(4) 1_554 . ? O10 Te04 Fe02 33.1(3) . . ? O19 Te04 Fe04 84.1(6) . 2_565 ? O17 Te04 Fe04 25.4(4) 2_565 2_565 ? O17 Te04 Fe04 74.6(4) . 2_565 ? O21 Te04 Fe04 86.5(3) 1_554 2_565 ? O10 Te04 Fe04 33.94(18) . 2_565 ? Fe02 Te04 Fe04 60.09(6) . 2_565 ? O19 Te04 Fe04 84.1(6) . . ? O17 Te04 Fe04 74.6(4) 2_565 . ? O17 Te04 Fe04 25.4(4) . . ? O21 Te04 Fe04 86.5(3) 1_554 . ? O10 Te04 Fe04 33.94(18) . . ? Fe02 Te04 Fe04 60.09(6) . . ? Fe04 Te04 Fe04 50.59(7) 2_565 . ? O19 Te04 O4 104.2(7) . . ? O17 Te04 O4 48.7(4) 2_565 . ? O17 Te04 O4 48.7(4) . . ? O21 Te04 O4 65.4(4) 1_554 . ? O10 Te04 O4 44.2(4) . . ? Fe02 Te04 O4 77.3(2) . . ? Fe04 Te04 O4 32.28(14) 2_565 . ? Fe04 Te04 O4 32.28(14) . . ? O13 Te05 O8 97.6(5) . . ? O13 Te05 O8 97.6(5) . 2_565 ? O8 Te05 O8 94.7(7) . 2_565 ? O13 Te05 O23 78.5(4) . 1_655 ? O8 Te05 O23 69.6(5) . 1_655 ? O8 Te05 O23 162.9(5) 2_565 1_655 ? O13 Te05 O23 78.5(4) . 2_665 ? O8 Te05 O23 162.9(5) . 2_665 ? O8 Te05 O23 69.6(5) 2_565 2_665 ? O23 Te05 O23 124.9(7) 1_655 2_665 ? O13 Te05 O12 62.2(6) . . ? O8 Te05 O12 58.3(4) . . ? O8 Te05 O12 58.3(4) 2_565 . ? O23 Te05 O12 106.0(3) 1_655 . ? O23 Te05 O12 106.0(3) 2_665 . ? O13 Te05 Cl02 152.0(2) . 3_545 ? O8 Te05 Cl02 107.2(4) . 3_545 ? O8 Te05 Cl02 68.1(4) 2_565 3_545 ? O23 Te05 Cl02 122.0(4) 1_655 3_545 ? O23 Te05 Cl02 74.0(4) 2_665 3_545 ? O12 Te05 Cl02 121.1(3) . 3_545 ? O13 Te05 Cl02 152.0(2) . 4_565 ? O8 Te05 Cl02 68.1(4) . 4_565 ? O8 Te05 Cl02 107.2(4) 2_565 4_565 ? O23 Te05 Cl02 74.0(4) 1_655 4_565 ? O23 Te05 Cl02 122.0(4) 2_665 4_565 ? O12 Te05 Cl02 121.1(3) . 4_565 ? Cl02 Te05 Cl02 54.0(3) 3_545 4_565 ? O13 Te05 Fe02 26.5(5) . 1_655 ? O8 Te05 Fe02 79.8(4) . 1_655 ? O8 Te05 Fe02 79.8(4) 2_565 1_655 ? O23 Te05 Fe02 90.4(3) 1_655 1_655 ? O23 Te05 Fe02 90.4(3) 2_665 1_655 ? O12 Te05 Fe02 35.7(2) . 1_655 ? Cl02 Te05 Fe02 147.46(13) 3_545 1_655 ? Cl02 Te05 Fe02 147.46(13) 4_565 1_655 ? O9 Te06 O2 96.6(5) . . ? O9 Te06 O11 96.2(5) . . ? O2 Te06 O11 94.2(5) . . ? O9 Te06 O24 79.3(5) . 4_565 ? O2 Te06 O24 69.5(5) . 4_565 ? O11 Te06 O24 162.3(4) . 4_565 ? O9 Te06 O25 81.3(5) . . ? O2 Te06 O25 166.1(6) . . ? O11 Te06 O25 72.4(6) . . ? O24 Te06 O25 123.1(5) 4_565 . ? O9 Te06 O20 147.4(5) . . ? O2 Te06 O20 109.5(5) . . ? O11 Te06 O20 63.5(5) . . ? O24 Te06 O20 127.5(5) 4_565 . ? O25 Te06 O20 68.7(5) . . ? O9 Te06 O7 62.2(4) . . ? O2 Te06 O7 56.6(4) . . ? O11 Te06 O7 57.8(4) . . ? O24 Te06 O7 105.7(4) 4_565 . ? O25 Te06 O7 111.1(5) . . ? O20 Te06 O7 116.8(4) . . ? O9 Te06 Fe01 26.8(3) . 4_465 ? O2 Te06 Fe01 78.1(4) . 4_465 ? O11 Te06 Fe01 78.4(3) . 4_465 ? O24 Te06 Fe01 90.9(3) 4_565 4_465 ? O25 Te06 Fe01 94.9(4) . 4_465 ? O20 Te06 Fe01 141.4(3) . 4_465 ? O7 Te06 Fe01 35.33(19) . 4_465 ? O9 Te06 Fe03 74.7(3) . . ? O2 Te06 Fe03 25.9(4) . . ? O11 Te06 Fe03 83.0(3) . . ? O24 Te06 Fe03 79.3(3) 4_565 . ? O25 Te06 Fe03 143.3(5) . . ? O20 Te06 Fe03 123.6(4) . . ? O7 Te06 Fe03 32.65(19) . . ? Fe01 Te06 Fe03 52.92(5) 4_465 . ? O6 Fe01 O9 88.7(4) . 4_565 ? O6 Fe01 O14 94.4(4) . . ? O9 Fe01 O14 176.9(5) 4_565 . ? O6 Fe01 O5 102.1(4) . . ? O9 Fe01 O5 87.0(5) 4_565 . ? O14 Fe01 O5 92.3(5) . . ? O6 Fe01 O3 102.5(4) . 4_565 ? O9 Fe01 O3 87.0(5) 4_565 4_565 ? O14 Fe01 O3 92.4(5) . 4_565 ? O5 Fe01 O3 154.6(4) . 4_565 ? O6 Fe01 O7 176.0(5) . 4_565 ? O9 Fe01 O7 95.3(4) 4_565 4_565 ? O14 Fe01 O7 81.6(5) . 4_565 ? O5 Fe01 O7 78.1(4) . 4_565 ? O3 Fe01 O7 77.9(4) 4_565 4_565 ? O10 Fe02 O13 87.7(7) . 1_455 ? O10 Fe02 O19 94.5(7) . . ? O13 Fe02 O19 177.8(8) 1_455 . ? O10 Fe02 O1 103.0(3) . 3_445 ? O13 Fe02 O1 87.0(4) 1_455 3_445 ? O19 Fe02 O1 92.5(4) . 3_445 ? O10 Fe02 O1 103.0(3) . 4_465 ? O13 Fe02 O1 87.0(4) 1_455 4_465 ? O19 Fe02 O1 92.5(4) . 4_465 ? O1 Fe02 O1 153.1(6) 3_445 4_465 ? O10 Fe02 O12 177.5(6) . 1_455 ? O13 Fe02 O12 94.8(7) 1_455 1_455 ? O19 Fe02 O12 83.0(7) . 1_455 ? O1 Fe02 O12 77.2(3) 3_445 1_455 ? O1 Fe02 O12 77.2(3) 4_465 1_455 ? O7 Fe03 O2 91.7(5) . . ? O7 Fe03 O18 90.3(5) . . ? O2 Fe03 O18 177.9(5) . . ? O7 Fe03 O6 175.0(4) . . ? O2 Fe03 O6 89.5(4) . . ? O18 Fe03 O6 88.6(4) . . ? O7 Fe03 O16 91.8(4) . . ? O2 Fe03 O16 88.5(4) . . ? O18 Fe03 O16 92.2(4) . . ? O6 Fe03 O16 83.4(4) . . ? O7 Fe03 O3 80.8(4) . . ? O2 Fe03 O3 94.9(5) . . ? O18 Fe03 O3 84.6(5) . . ? O6 Fe03 O3 103.9(4) . . ? O16 Fe03 O3 171.9(5) . . ? O7 Fe04 O17 90.7(5) . . ? O7 Fe04 O11 93.5(5) . . ? O17 Fe04 O11 175.8(5) . . ? O7 Fe04 O10 175.1(5) . . ? O17 Fe04 O10 89.4(5) . . ? O11 Fe04 O10 86.4(5) . . ? O7 Fe04 O4 91.2(5) . . ? O17 Fe04 O4 92.8(6) . . ? O11 Fe04 O4 87.7(5) . . ? O10 Fe04 O4 84.0(5) . . ? O7 Fe04 O5 81.0(5) . 4_465 ? O17 Fe04 O5 86.1(5) . 4_465 ? O11 Fe04 O5 93.9(5) . 4_465 ? O10 Fe04 O5 103.9(5) . 4_465 ? O4 Fe04 O5 172.1(5) . 4_465 ? O12 Fe05 O8 93.0(5) . . ? O12 Fe05 O6 174.8(6) . . ? O8 Fe05 O6 87.9(4) . . ? O12 Fe05 O15 89.8(5) . . ? O8 Fe05 O15 177.2(4) . . ? O6 Fe05 O15 89.3(4) . . ? O12 Fe05 O1 80.5(5) . 4_565 ? O8 Fe05 O1 95.8(5) . 4_565 ? O6 Fe05 O1 104.6(5) . 4_565 ? O15 Fe05 O1 85.0(5) . 4_565 ? O12 Fe05 O16 91.1(5) . . ? O8 Fe05 O16 88.3(5) . . ? O6 Fe05 O16 83.7(4) . . ? O15 Fe05 O16 91.4(4) . . ? O1 Fe05 O16 170.9(5) 4_565 . ? O22 S01 O22 106.9(12) . 2_565 ? O22 S01 O21 110.9(7) . . ? O22 S01 O21 110.9(7) 2_565 . ? O22 S01 O20 110.1(8) . . ? O22 S01 O20 110.1(7) 2_565 . ? O21 S01 O20 107.9(12) . . ? O25 S02 O26 108.7(11) . . ? O25 S02 O24 112.6(10) . . ? O26 S02 O24 107.4(10) . . ? O25 S02 O23 111.7(11) . . ? O26 S02 O23 106.6(9) . . ? O24 S02 O23 109.5(9) . . ? Pb01 Cl01 Pb03 136.5(3) . 4_564 ? Pb01 Cl01 Te03 74.47(15) . 4_565 ? Pb03 Cl01 Te03 138.3(3) 4_564 4_565 ? Pb01 Cl01 Te03 73.60(16) . . ? Pb03 Cl01 Te03 95.3(2) 4_564 . ? Te03 Cl01 Te03 124.0(2) 4_565 . ? Pb01 Cl01 Te06 94.5(2) . 4_564 ? Pb03 Cl01 Te06 70.27(16) 4_564 4_564 ? Te03 Cl01 Te06 82.16(19) 4_565 4_564 ? Te03 Cl01 Te06 144.7(2) . 4_564 ? Pb01 Cl01 Te02 82.52(16) . 4_565 ? Pb03 Cl01 Te02 132.0(3) 4_564 4_565 ? Te03 Cl01 Te02 65.08(12) 4_565 4_565 ? Te03 Cl01 Te02 66.13(15) . 4_565 ? Te06 Cl01 Te02 146.8(2) 4_564 4_565 ? Pb03 Cl02 Pb04 152.6(4) . 3_456 ? Pb03 Cl02 Te05 74.87(19) . 3_455 ? Pb04 Cl02 Te05 104.9(3) 3_456 3_455 ? Pb03 Cl02 Te06 73.32(18) . 4_465 ? Pb04 Cl02 Te06 127.3(3) 3_456 4_465 ? Te05 Cl02 Te06 116.0(3) 3_455 4_465 ? Pb03 Cl02 Te03 96.3(3) . 4_466 ? Pb04 Cl02 Te03 71.59(18) 3_456 4_466 ? Te05 Cl02 Te03 153.8(3) 3_455 4_466 ? Te06 Cl02 Te03 83.7(2) 4_465 4_466 ? Pb03 Cl02 Te01 78.61(19) . 3_455 ? Pb04 Cl02 Te01 125.8(3) 3_456 3_455 ? Te05 Cl02 Te01 60.31(15) 3_455 3_455 ? Te06 Cl02 Te01 59.87(15) 4_465 3_455 ? Te03 Cl02 Te01 143.2(3) 4_466 3_455 ? Pb03 Cl02 Te04 103.7(3) . 3_556 ? Pb04 Cl02 Te04 54.56(15) 3_456 3_556 ? Te05 Cl02 Te04 65.30(16) 3_455 3_556 ? Te06 Cl02 Te04 175.8(3) 4_465 3_556 ? Te03 Cl02 Te04 93.9(2) 4_466 3_556 ? Te01 Cl02 Te04 122.8(2) 3_455 3_556 ? Te02 O1 Fe05 120.7(6) . 4_465 ? Te02 O1 Fe02 123.8(6) . 3 ? Fe05 O1 Fe02 98.3(5) 4_465 3 ? Te02 O1 Te05 164.0(6) . 3_455 ? Fe05 O1 Te05 66.3(3) 4_465 3_455 ? Fe02 O1 Te05 65.3(3) 3 3_455 ? Te02 O1 Pb04 98.0(5) . 3_455 ? Fe05 O1 Pb04 60.4(3) 4_465 3_455 ? Fe02 O1 Pb04 66.2(3) 3 3_455 ? Te05 O1 Pb04 97.8(2) 3_455 3_455 ? Te02 O1 Te04 72.0(4) . 3 ? Fe05 O1 Te04 118.1(5) 4_465 3 ? Fe02 O1 Te04 53.6(3) 3 3 ? Te05 O1 Te04 118.9(3) 3_455 3 ? Pb04 O1 Te04 57.80(18) 3_455 3 ? Te02 O1 Pb02 114.7(4) . 3 ? Fe05 O1 Pb02 123.6(5) 4_465 3 ? Fe02 O1 Pb02 55.6(3) 3 3 ? Te05 O1 Pb02 57.45(17) 3_455 3 ? Pb04 O1 Pb02 121.7(3) 3_455 3 ? Te04 O1 Pb02 87.3(2) 3 3 ? Te02 O1 Pb03 114.4(4) . . ? Fe05 O1 Pb03 55.1(3) 4_465 . ? Fe02 O1 Pb03 121.1(5) 3 . ? Te05 O1 Pb03 55.94(17) 3_455 . ? Pb04 O1 Pb03 115.5(2) 3_455 . ? Te04 O1 Pb03 172.1(3) 3 . ? Pb02 O1 Pb03 93.7(3) 3 . ? Te02 O1 Te03 69.4(3) . 4_465 ? Fe05 O1 Te03 52.7(3) 4_465 4_465 ? Fe02 O1 Te03 121.1(5) 3 4_465 ? Te05 O1 Te03 119.0(3) 3_455 4_465 ? Pb04 O1 Te03 54.86(16) 3_455 4_465 ? Te04 O1 Te03 92.6(3) 3 4_465 ? Pb02 O1 Te03 175.5(3) 3 4_465 ? Pb03 O1 Te03 85.85(19) . 4_465 ? Te06 O2 Fe03 129.8(6) . . ? Te06 O2 Pb03 118.7(5) . 4_565 ? Fe03 O2 Pb03 103.7(5) . 4_565 ? Te06 O2 Te01 105.0(5) . . ? Fe03 O2 Te01 79.7(4) . . ? Pb03 O2 Te01 113.0(4) 4_565 . ? Te02 O3 Fe01 124.0(6) . 4_465 ? Te02 O3 Fe03 119.1(5) . . ? Fe01 O3 Fe03 97.5(4) 4_465 . ? Te02 O3 Te06 165.5(5) . . ? Fe01 O3 Te06 65.3(3) 4_465 . ? Fe03 O3 Te06 66.5(3) . . ? Te02 O3 Pb01 94.8(4) . 4_465 ? Fe01 O3 Pb01 65.5(3) 4_465 4_465 ? Fe03 O3 Pb01 61.8(3) . 4_465 ? Te06 O3 Pb01 99.4(2) . 4_465 ? Te02 O3 Te03 71.9(3) . 4_465 ? Fe01 O3 Te03 53.5(3) 4_465 4_465 ? Fe03 O3 Te03 116.8(4) . 4_465 ? Te06 O3 Te03 118.8(3) . 4_465 ? Pb01 O3 Te03 55.20(15) 4_465 4_465 ? Te02 O3 Pb03 117.1(4) . . ? Fe01 O3 Pb03 55.6(2) 4_465 . ? Fe03 O3 Pb03 123.2(4) . . ? Te06 O3 Pb03 56.87(14) . . ? Pb01 O3 Pb03 121.1(2) 4_465 . ? Te03 O3 Pb03 87.82(19) 4_465 . ? Te02 O3 Pb03 114.4(4) . 4_565 ? Fe01 O3 Pb03 121.2(4) 4_465 4_565 ? Fe03 O3 Pb03 55.8(3) . 4_565 ? Te06 O3 Pb03 56.17(15) . 4_565 ? Pb01 O3 Pb03 117.6(2) 4_465 4_565 ? Te03 O3 Pb03 171.7(3) 4_465 4_565 ? Pb03 O3 Pb03 93.6(2) . 4_565 ? Te02 O3 Te03 67.5(3) . . ? Fe01 O3 Te03 120.3(4) 4_465 . ? Fe03 O3 Te03 52.8(2) . . ? Te06 O3 Te03 119.3(2) . . ? Pb01 O3 Te03 54.85(13) 4_465 . ? Te03 O3 Te03 91.6(2) 4_465 . ? Pb03 O3 Te03 174.9(3) . . ? Pb03 O3 Te03 86.29(18) 4_565 . ? Te01 O4 Fe04 121.4(5) . 2_565 ? Te01 O4 Fe04 121.4(5) . . ? Fe04 O4 Fe04 94.0(6) 2_565 . ? Te01 O4 Te04 166.6(7) . . ? Fe04 O4 Te04 66.0(4) 2_565 . ? Fe04 O4 Te04 66.0(4) . . ? Te01 O4 Pb01 112.0(4) . 3_445 ? Fe04 O4 Pb01 62.9(3) 2_565 3_445 ? Fe04 O4 Pb01 125.9(6) . 3_445 ? Te04 O4 Pb01 59.9(2) . 3_445 ? Te01 O4 Pb01 112.0(4) . 4_465 ? Fe04 O4 Pb01 125.9(6) 2_565 4_465 ? Fe04 O4 Pb01 62.9(3) . 4_465 ? Te04 O4 Pb01 59.9(2) . 4_465 ? Pb01 O4 Pb01 90.9(3) 3_445 4_465 ? Te01 O4 Pb02 96.4(5) . . ? Fe04 O4 Pb02 60.3(4) 2_565 . ? Fe04 O4 Pb02 60.3(4) . . ? Te04 O4 Pb02 97.0(3) . . ? Pb01 O4 Pb02 123.2(3) 3_445 . ? Pb01 O4 Pb02 123.2(3) 4_465 . ? Te01 O4 Te06 69.1(3) . . ? Fe04 O4 Te06 113.4(5) 2_565 . ? Fe04 O4 Te06 53.7(3) . . ? Te04 O4 Te06 119.7(3) . . ? Pb01 O4 Te06 176.2(4) 3_445 . ? Pb01 O4 Te06 91.97(3) 4_465 . ? Pb02 O4 Te06 53.04(16) . . ? Te01 O4 Te06 69.1(3) . 2_565 ? Fe04 O4 Te06 53.7(3) 2_565 2_565 ? Fe04 O4 Te06 113.4(5) . 2_565 ? Te04 O4 Te06 119.7(3) . 2_565 ? Pb01 O4 Te06 91.97(3) 3_445 2_565 ? Pb01 O4 Te06 176.2(4) 4_465 2_565 ? Pb02 O4 Te06 53.04(16) . 2_565 ? Te06 O4 Te06 85.1(3) . 2_565 ? Te02 O5 Fe01 124.2(6) . . ? Te02 O5 Fe04 119.4(6) . 4_565 ? Fe01 O5 Fe04 97.1(5) . 4_565 ? Te02 O5 Te06 165.1(6) . 4_565 ? Fe01 O5 Te06 65.3(3) . 4_565 ? Fe04 O5 Te06 66.6(3) 4_565 4_565 ? Te02 O5 Pb01 95.2(4) . . ? Fe01 O5 Pb01 65.7(3) . . ? Fe04 O5 Pb01 61.2(3) 4_565 . ? Te06 O5 Pb01 99.5(3) 4_565 . ? Te02 O5 Te03 71.1(3) . . ? Fe01 O5 Te03 54.6(3) . . ? Fe04 O5 Te03 116.7(5) 4_565 . ? Te06 O5 Te03 119.8(3) 4_565 . ? Pb01 O5 Te03 55.58(16) . . ? Te02 O5 Pb03 116.5(4) . 4_565 ? Fe01 O5 Pb03 56.0(3) . 4_565 ? Fe04 O5 Pb03 123.4(4) 4_565 4_565 ? Te06 O5 Pb03 57.03(17) 4_565 4_565 ? Pb01 O5 Pb03 121.6(3) . 4_565 ? Te03 O5 Pb03 88.61(19) . 4_565 ? Te02 O5 Pb02 115.7(4) . 3 ? Fe01 O5 Pb02 119.8(4) . 3 ? Fe04 O5 Pb02 55.2(3) 4_565 3 ? Te06 O5 Pb02 54.87(15) 4_565 3 ? Pb01 O5 Pb02 116.4(2) . 3 ? Te03 O5 Pb02 170.9(3) . 3 ? Pb03 O5 Pb02 93.2(2) 4_565 3 ? Te02 O5 Te04 68.3(3) . 3 ? Fe01 O5 Te04 120.2(5) . 3 ? Fe04 O5 Te04 52.2(3) 4_565 3 ? Te06 O5 Te04 118.8(2) 4_565 3 ? Pb01 O5 Te04 54.67(15) . 3 ? Te03 O5 Te04 91.4(2) . 3 ? Pb03 O5 Te04 174.8(3) 4_565 3 ? Pb02 O5 Te04 85.97(18) 3 3 ? Fe01 O6 Fe05 125.5(6) . . ? Fe01 O6 Fe03 125.9(5) . . ? Fe05 O6 Fe03 97.7(4) . . ? Fe01 O6 Pb03 101.3(4) . 4_565 ? Fe05 O6 Pb03 101.0(4) . 4_565 ? Fe03 O6 Pb03 100.3(4) . 4_565 ? Fe01 O6 Te03 78.7(3) . . ? Fe05 O6 Te03 79.6(3) . . ? Fe03 O6 Te03 79.2(3) . . ? Pb03 O6 Te03 179.3(4) 4_565 . ? Fe01 O6 Te02 64.1(3) . . ? Fe05 O6 Te02 144.3(4) . . ? Fe03 O6 Te02 61.9(3) . . ? Pb03 O6 Te02 110.9(3) 4_565 . ? Te03 O6 Te02 68.46(18) . . ? Fe01 O6 Te02 63.7(3) . 4_565 ? Fe05 O6 Te02 61.9(3) . 4_565 ? Fe03 O6 Te02 144.8(4) . 4_565 ? Pb03 O6 Te02 111.2(3) 4_565 4_565 ? Te03 O6 Te02 69.47(19) . 4_565 ? Te02 O6 Te02 117.3(2) . 4_565 ? Fe01 O6 Te01 174.4(4) . . ? Fe05 O6 Te01 52.5(2) . . ? Fe03 O6 Te01 52.2(2) . . ? Pb03 O6 Te01 84.4(2) 4_565 . ? Te03 O6 Te01 95.6(2) . . ? Te02 O6 Te01 114.1(3) . . ? Te02 O6 Te01 114.4(2) 4_565 . ? Fe01 O6 Te06 43.6(2) . 4_565 ? Fe05 O6 Te06 129.3(4) . 4_565 ? Fe03 O6 Te06 129.2(4) . 4_565 ? Pb03 O6 Te06 57.64(17) 4_565 4_565 ? Te03 O6 Te06 122.3(3) . 4_565 ? Te02 O6 Te06 82.86(17) . 4_565 ? Te02 O6 Te06 82.61(19) 4_565 4_565 ? Te01 O6 Te06 142.0(2) . 4_565 ? Fe01 O6 Te05 129.2(4) . . ? Fe05 O6 Te05 44.4(2) . . ? Fe03 O6 Te05 104.0(3) . . ? Pb03 O6 Te05 56.62(17) 4_565 . ? Te03 O6 Te05 123.9(2) . . ? Te02 O6 Te05 160.9(3) . . ? Te02 O6 Te05 81.73(18) 4_565 . ? Te01 O6 Te05 54.06(12) . . ? Te06 O6 Te05 99.03(19) 4_565 . ? Fe01 O6 Te06 129.5(4) . . ? Fe05 O6 Te06 104.1(3) . . ? Fe03 O6 Te06 44.3(2) . . ? Pb03 O6 Te06 56.00(19) 4_565 . ? Te03 O6 Te06 123.5(3) . . ? Te02 O6 Te06 81.99(19) . . ? Te02 O6 Te06 160.7(3) 4_565 . ? Te01 O6 Te06 53.86(12) . . ? Te06 O6 Te06 98.95(18) 4_565 . ? Te05 O6 Te06 78.98(16) . . ? Fe04 O7 Fe03 140.1(6) . . ? Fe04 O7 Fe01 101.3(5) . 4_465 ? Fe03 O7 Fe01 101.2(5) . 4_465 ? Fe04 O7 Pb01 102.6(5) . 4_465 ? Fe03 O7 Pb01 103.1(4) . 4_465 ? Fe01 O7 Pb01 104.5(4) 4_465 4_465 ? Fe04 O7 Te06 77.6(3) . . ? Fe03 O7 Te06 77.2(4) . . ? Fe01 O7 Te06 74.4(3) 4_465 . ? Pb01 O7 Te06 179.0(4) 4_465 . ? Fe04 O7 Te01 72.0(3) . . ? Fe03 O7 Te01 70.9(3) . . ? Fe01 O7 Te01 146.5(5) 4_465 . ? Pb01 O7 Te01 109.0(3) 4_465 . ? Te06 O7 Te01 72.1(2) . . ? Fe04 O7 Te02 158.8(5) . . ? Fe03 O7 Te02 55.0(3) . . ? Fe01 O7 Te02 57.5(2) 4_465 . ? Pb01 O7 Te02 83.1(3) 4_465 . ? Te06 O7 Te02 96.3(3) . . ? Te01 O7 Te02 125.9(3) . . ? Fe04 O7 Te02 55.2(3) . 4_465 ? Fe03 O7 Te02 158.3(5) . 4_465 ? Fe01 O7 Te02 57.1(3) 4_465 4_465 ? Pb01 O7 Te02 83.1(3) 4_465 4_465 ? Te06 O7 Te02 96.2(3) . 4_465 ? Te01 O7 Te02 127.2(3) . 4_465 ? Te02 O7 Te02 106.1(2) . 4_465 ? Fe04 O7 Te03 109.2(4) . 4_465 ? Fe03 O7 Te03 110.3(4) . 4_465 ? Fe01 O7 Te03 46.8(2) 4_465 4_465 ? Pb01 O7 Te03 57.8(2) 4_465 4_465 ? Te06 O7 Te03 121.2(3) . 4_465 ? Te01 O7 Te03 166.7(3) . 4_465 ? Te02 O7 Te03 56.34(14) . 4_465 ? Te02 O7 Te03 55.28(14) 4_465 4_465 ? Fe04 O7 Te04 45.2(3) . . ? Fe03 O7 Te04 144.8(4) . . ? Fe01 O7 Te04 111.6(4) 4_465 . ? Pb01 O7 Te04 57.4(2) 4_465 . ? Te06 O7 Te04 122.8(3) . . ? Te01 O7 Te04 87.4(2) . . ? Te02 O7 Te04 136.3(3) . . ? Te02 O7 Te04 55.57(14) 4_465 . ? Te03 O7 Te04 84.9(2) 4_465 . ? Fe04 O7 Te03 144.8(4) . . ? Fe03 O7 Te03 45.7(3) . . ? Fe01 O7 Te03 111.4(4) 4_465 . ? Pb01 O7 Te03 57.5(2) 4_465 . ? Te06 O7 Te03 122.9(3) . . ? Te01 O7 Te03 86.8(2) . . ? Te02 O7 Te03 54.96(13) . . ? Te02 O7 Te03 136.1(3) 4_465 . ? Te03 O7 Te03 85.36(18) 4_465 . ? Te04 O7 Te03 107.8(2) . . ? Te05 O8 Fe05 127.1(6) . . ? Te05 O8 Pb03 120.1(5) . 4_565 ? Fe05 O8 Pb03 105.4(4) . 4_565 ? Te05 O8 Te01 103.4(4) . . ? Fe05 O8 Te01 79.5(4) . . ? Pb03 O8 Te01 113.6(4) 4_565 . ? Te05 O8 Te06 122.7(5) . . ? Fe05 O8 Te06 104.2(4) . . ? Pb03 O8 Te06 56.0(2) 4_565 . ? Te01 O8 Te06 58.68(18) . . ? Te06 O9 Fe01 128.1(6) . 4_465 ? Te06 O9 Pb03 125.9(5) . . ? Fe01 O9 Pb03 106.0(4) 4_465 . ? Te06 O9 Te02 117.8(4) . 4_465 ? Fe01 O9 Te02 47.3(3) 4_465 4_465 ? Pb03 O9 Te02 97.4(3) . 4_465 ? Te06 O9 Te02 117.4(4) . . ? Fe01 O9 Te02 47.3(3) 4_465 . ? Pb03 O9 Te02 97.9(3) . . ? Te02 O9 Te02 94.3(2) 4_465 . ? Fe02 O10 Fe04 125.1(4) . 2_565 ? Fe02 O10 Fe04 125.1(4) . . ? Fe04 O10 Fe04 97.3(7) 2_565 . ? Fe02 O10 Pb02 103.7(6) . . ? Fe04 O10 Pb02 100.3(5) 2_565 . ? Fe04 O10 Pb02 100.3(5) . . ? Fe02 O10 Te04 77.6(4) . . ? Fe04 O10 Te04 78.9(4) 2_565 . ? Fe04 O10 Te04 78.9(4) . . ? Pb02 O10 Te04 178.6(6) . . ? Fe02 O10 Te02 63.6(2) . 3_445 ? Fe04 O10 Te02 61.8(2) 2_565 3_445 ? Fe04 O10 Te02 144.1(6) . 3_445 ? Pb02 O10 Te02 111.6(3) . 3_445 ? Te04 O10 Te02 68.9(2) . 3_445 ? Fe02 O10 Te02 63.6(2) . 4_465 ? Fe04 O10 Te02 144.1(6) 2_565 4_465 ? Fe04 O10 Te02 61.8(2) . 4_465 ? Pb02 O10 Te02 111.6(3) . 4_465 ? Te04 O10 Te02 68.9(2) . 4_465 ? Te02 O10 Te02 117.2(4) 3_445 4_465 ? Fe02 O10 Te01 173.4(6) . . ? Fe04 O10 Te01 52.5(4) 2_565 . ? Fe04 O10 Te01 52.5(4) . . ? Pb02 O10 Te01 82.9(4) . . ? Te04 O10 Te01 95.8(3) . . ? Te02 O10 Te01 114.3(2) 3_445 . ? Te02 O10 Te01 114.3(2) 4_465 . ? Fe02 O10 Te05 44.2(3) . 1_455 ? Fe04 O10 Te05 129.7(3) 2_565 1_455 ? Fe04 O10 Te05 129.7(3) . 1_455 ? Pb02 O10 Te05 59.6(3) . 1_455 ? Te04 O10 Te05 121.8(4) . 1_455 ? Te02 O10 Te05 82.5(2) 3_445 1_455 ? Te02 O10 Te05 82.5(2) 4_465 1_455 ? Te01 O10 Te05 142.5(3) . 1_455 ? Fe02 O10 Te06 129.9(3) . . ? Fe04 O10 Te06 104.2(5) 2_565 . ? Fe04 O10 Te06 45.3(3) . . ? Pb02 O10 Te06 54.9(2) . . ? Te04 O10 Te06 124.2(3) . . ? Te02 O10 Te06 160.5(3) 3_445 . ? Te02 O10 Te06 82.20(8) 4_465 . ? Te01 O10 Te06 54.01(17) . . ? Te05 O10 Te06 99.1(2) 1_455 . ? Fe02 O10 Te06 129.9(3) . 2_565 ? Fe04 O10 Te06 45.3(3) 2_565 2_565 ? Fe04 O10 Te06 104.2(5) . 2_565 ? Pb02 O10 Te06 54.9(2) . 2_565 ? Te04 O10 Te06 124.2(3) . 2_565 ? Te02 O10 Te06 82.19(8) 3_445 2_565 ? Te02 O10 Te06 160.5(3) 4_465 2_565 ? Te01 O10 Te06 54.01(17) . 2_565 ? Te05 O10 Te06 99.1(2) 1_455 2_565 ? Te06 O10 Te06 78.3(2) . 2_565 ? Te06 O11 Fe04 127.5(5) . . ? Te06 O11 Pb02 119.7(5) . . ? Fe04 O11 Pb02 107.4(5) . . ? Te06 O11 Te01 101.5(4) . . ? Fe04 O11 Te01 78.6(3) . . ? Pb02 O11 Te01 112.8(4) . . ? Te06 O11 Te06 120.9(4) . 2_565 ? Fe04 O11 Te06 104.2(4) . 2_565 ? Pb02 O11 Te06 54.7(2) . 2_565 ? Te01 O11 Te06 58.96(17) . 2_565 ? Fe05 O12 Fe05 139.5(8) 2_565 . ? Fe05 O12 Fe02 101.3(5) 2_565 1_655 ? Fe05 O12 Fe02 101.3(5) . 1_655 ? Fe05 O12 Pb04 102.5(5) 2_565 . ? Fe05 O12 Pb04 102.5(5) . . ? Fe02 O12 Pb04 106.8(6) 1_655 . ? Fe05 O12 Te05 77.1(5) 2_565 . ? Fe05 O12 Te05 77.1(5) . . ? Fe02 O12 Te05 74.6(4) 1_655 . ? Pb04 O12 Te05 178.5(6) . . ? Fe05 O12 Te01 71.3(4) 2_565 . ? Fe05 O12 Te01 71.3(4) . . ? Fe02 O12 Te01 146.8(7) 1_655 . ? Pb04 O12 Te01 106.3(5) . . ? Te05 O12 Te01 72.2(3) . . ? Fe05 O12 Te02 158.3(6) 2_565 4_565 ? Fe05 O12 Te02 55.2(2) . 4_565 ? Fe02 O12 Te02 57.06(19) 1_655 4_565 ? Pb04 O12 Te02 85.0(3) . 4_565 ? Te05 O12 Te02 95.8(3) . 4_565 ? Te01 O12 Te02 126.50(16) . 4_565 ? Fe05 O12 Te02 55.2(2) 2_565 3_545 ? Fe05 O12 Te02 158.3(6) . 3_545 ? Fe02 O12 Te02 57.06(19) 1_655 3_545 ? Pb04 O12 Te02 85.0(3) . 3_545 ? Te05 O12 Te02 95.8(3) . 3_545 ? Te01 O12 Te02 126.50(16) . 3_545 ? Te02 O12 Te02 106.2(3) 4_565 3_545 ? Fe05 O12 Te04 110.0(4) 2_565 1_655 ? Fe05 O12 Te04 110.0(4) . 1_655 ? Fe02 O12 Te04 46.1(3) 1_655 1_655 ? Pb04 O12 Te04 60.8(3) . 1_655 ? Te05 O12 Te04 120.7(4) . 1_655 ? Te01 O12 Te04 167.1(4) . 1_655 ? Te02 O12 Te04 55.87(16) 4_565 1_655 ? Te02 O12 Te04 55.87(16) 3_545 1_655 ? Fe05 O12 Te03 45.6(3) 2_565 2_565 ? Fe05 O12 Te03 144.7(6) . 2_565 ? Fe02 O12 Te03 111.7(3) 1_655 2_565 ? Pb04 O12 Te03 56.93(17) . 2_565 ? Te05 O12 Te03 122.68(19) . 2_565 ? Te01 O12 Te03 86.6(2) . 2_565 ? Te02 O12 Te03 136.9(4) 4_565 2_565 ? Te02 O12 Te03 55.81(8) 3_545 2_565 ? Te04 O12 Te03 85.8(2) 1_655 2_565 ? Fe05 O12 Te03 144.7(6) 2_565 . ? Fe05 O12 Te03 45.6(3) . . ? Fe02 O12 Te03 111.7(3) 1_655 . ? Pb04 O12 Te03 56.93(17) . . ? Te05 O12 Te03 122.68(19) . . ? Te01 O12 Te03 86.6(2) . . ? Te02 O12 Te03 55.81(8) 4_565 . ? Te02 O12 Te03 136.9(4) 3_545 . ? Te04 O12 Te03 85.8(2) 1_655 . ? Te03 O12 Te03 107.8(3) 2_565 . ? Te05 O13 Fe02 128.5(9) . 1_655 ? Te05 O13 Pb02 125.4(8) . 1_655 ? Fe02 O13 Pb02 106.1(7) 1_655 1_655 ? Te05 O13 Te02 117.5(4) . 3_545 ? Fe02 O13 Te02 47.88(17) 1_655 3_545 ? Pb02 O13 Te02 97.6(4) 1_655 3_545 ? Te05 O13 Te02 117.5(4) . 4_565 ? Fe02 O13 Te02 47.88(17) 1_655 4_565 ? Pb02 O13 Te02 97.6(4) 1_655 4_565 ? Te02 O13 Te02 95.4(3) 3_545 4_565 ? Te03 O14 Fe01 126.0(6) . . ? Te03 O14 Pb01 124.1(6) . . ? Fe01 O14 Pb01 109.8(5) . . ? Te03 O14 Te02 94.2(5) . . ? Fe01 O14 Te02 73.6(4) . . ? Pb01 O14 Te02 100.6(4) . . ? Te03 O14 Te02 96.4(5) . 4_565 ? Fe01 O14 Te02 73.7(4) . 4_565 ? Pb01 O14 Te02 100.2(4) . 4_565 ? Te02 O14 Te02 145.7(4) . 4_565 ? Te03 O15 Fe05 129.0(6) . . ? Te03 O15 Pb04 120.7(5) . . ? Fe05 O15 Pb04 97.6(4) . . ? Te03 O15 Te02 110.2(4) . 4_565 ? Fe05 O15 Te02 81.6(4) . 4_565 ? Pb04 O15 Te02 111.0(4) . 4_565 ? Te03 O15 Te01 111.4(4) . . ? Fe05 O15 Te01 41.6(2) . . ? Pb04 O15 Te01 78.0(3) . . ? Te02 O15 Te01 122.9(3) 4_565 . ? Te01 O16 Fe03 119.2(5) . . ? Te01 O16 Fe05 119.7(5) . . ? Fe03 O16 Fe05 94.9(4) . . ? Te01 O16 Te03 167.6(5) . . ? Fe03 O16 Te03 67.6(3) . . ? Fe05 O16 Te03 67.6(3) . . ? Te01 O16 Pb04 111.3(4) . . ? Fe03 O16 Pb04 129.0(4) . . ? Fe05 O16 Pb04 64.6(3) . . ? Te03 O16 Pb04 61.46(16) . . ? Te01 O16 Pb01 111.9(4) . 4_465 ? Fe03 O16 Pb01 63.8(3) . 4_465 ? Fe05 O16 Pb01 128.0(4) . 4_465 ? Te03 O16 Pb01 60.42(16) . 4_465 ? Pb04 O16 Pb01 91.8(2) . 4_465 ? Te01 O16 Pb03 95.6(4) . 4_565 ? Fe03 O16 Pb03 59.3(3) . 4_565 ? Fe05 O16 Pb03 59.4(3) . 4_565 ? Te03 O16 Pb03 96.7(2) . 4_565 ? Pb04 O16 Pb03 123.9(3) . 4_565 ? Pb01 O16 Pb03 123.1(2) 4_465 4_565 ? Te01 O16 Te05 68.4(3) . . ? Fe03 O16 Te05 112.9(4) . . ? Fe05 O16 Te05 52.3(2) . . ? Te03 O16 Te05 119.9(3) . . ? Pb04 O16 Te05 91.3(2) . . ? Pb01 O16 Te05 176.5(3) 4_465 . ? Pb03 O16 Te05 53.64(13) 4_565 . ? Te01 O16 Te06 67.9(3) . . ? Fe03 O16 Te06 52.4(2) . . ? Fe05 O16 Te06 112.8(4) . . ? Te03 O16 Te06 119.9(2) . . ? Pb04 O16 Te06 176.7(3) . . ? Pb01 O16 Te06 91.5(2) 4_465 . ? Pb03 O16 Te06 53.50(13) 4_565 . ? Te05 O16 Te06 85.46(19) . . ? Te04 O17 Fe04 130.5(6) . . ? Te04 O17 Pb01 119.3(5) . 4_465 ? Fe04 O17 Pb01 100.0(5) . 4_465 ? Te04 O17 Te02 109.3(5) . 4_465 ? Fe04 O17 Te02 82.2(4) . 4_465 ? Pb01 O17 Te02 108.7(4) 4_465 4_465 ? Te04 O17 Te01 112.7(4) . . ? Fe04 O17 Te01 41.8(3) . . ? Pb01 O17 Te01 81.3(3) 4_465 . ? Te02 O17 Te01 123.6(3) 4_465 . ? Te03 O18 Fe03 130.2(6) . . ? Te03 O18 Pb01 118.0(6) . 4_465 ? Fe03 O18 Pb01 99.8(4) . 4_465 ? Te03 O18 Te02 110.0(5) . . ? Fe03 O18 Te02 83.4(4) . . ? Pb01 O18 Te02 109.7(4) 4_465 . ? Te03 O18 Te01 111.6(4) . . ? Fe03 O18 Te01 41.0(2) . . ? Pb01 O18 Te01 81.2(3) 4_465 . ? Te02 O18 Te01 124.1(3) . . ? Te04 O19 Fe02 127.8(10) . . ? Te04 O19 Pb04 126.3(9) . 1_455 ? Fe02 O19 Pb04 105.9(7) . 1_455 ? Te04 O19 Te02 95.9(3) . 4_465 ? Fe02 O19 Te02 73.9(3) . 4_465 ? Pb04 O19 Te02 99.1(3) 1_455 4_465 ? Te04 O19 Te02 95.9(3) . 3_445 ? Fe02 O19 Te02 73.9(3) . 3_445 ? Pb04 O19 Te02 99.1(3) 1_455 3_445 ? Te02 O19 Te02 146.3(6) 4_465 3_445 ? S01 O20 Pb02 117.5(12) . . ? S01 O20 Te06 118.7(3) . . ? Pb02 O20 Te06 79.5(4) . . ? S01 O20 Te06 118.7(3) . 2_565 ? Pb02 O20 Te06 79.5(4) . 2_565 ? Te06 O20 Te06 122.2(7) . 2_565 ? S01 O20 Pb04 54.5(7) . 1_556 ? Pb02 O20 Pb04 171.9(9) . 1_556 ? Te06 O20 Pb04 104.0(4) . 1_556 ? Te06 O20 Pb04 104.0(4) 2_565 1_556 ? S01 O20 Te01 159.1(11) . . ? Pb02 O20 Te01 83.4(6) . . ? Te06 O20 Te01 62.3(4) . . ? Te06 O20 Te01 62.3(4) 2_565 . ? Pb04 O20 Te01 104.7(5) 1_556 . ? S01 O20 Pb01 46.9(4) . 4_466 ? Pb02 O20 Pb01 91.1(5) . 4_466 ? Te06 O20 Pb01 76.98(16) . 4_466 ? Te06 O20 Pb01 155.8(6) 2_565 4_466 ? Pb04 O20 Pb01 82.8(3) 1_556 4_466 ? Te01 O20 Pb01 139.2(2) . 4_466 ? S01 O20 Pb01 46.9(4) . 3_446 ? Pb02 O20 Pb01 91.1(5) . 3_446 ? Te06 O20 Pb01 155.8(6) . 3_446 ? Te06 O20 Pb01 76.98(16) 2_565 3_446 ? Pb04 O20 Pb01 82.8(3) 1_556 3_446 ? Te01 O20 Pb01 139.2(2) . 3_446 ? Pb01 O20 Pb01 81.0(4) 4_466 3_446 ? S01 O21 Pb01 96.4(4) . 4_466 ? S01 O21 Pb01 96.4(4) . 3_446 ? Pb01 O21 Pb01 140.9(7) 4_466 3_446 ? S01 O21 Te04 168.8(12) . 1_556 ? Pb01 O21 Te04 80.2(4) 4_466 1_556 ? Pb01 O21 Te04 80.2(4) 3_446 1_556 ? S01 O21 Pb02 86.3(9) . . ? Pb01 O21 Pb02 108.8(4) 4_466 . ? Pb01 O21 Pb02 108.8(4) 3_446 . ? Te04 O21 Pb02 104.9(6) 1_556 . ? S01 O22 Pb01 101.7(7) . 4_466 ? S01 O22 Pb04 98.5(7) . 1_556 ? Pb01 O22 Pb04 151.1(5) 4_466 1_556 ? S01 O22 Te03 169.6(8) . 1_556 ? Pb01 O22 Te03 82.2(3) 4_466 1_556 ? Pb04 O22 Te03 81.7(4) 1_556 1_556 ? S01 O22 Te06 88.1(6) . . ? Pb01 O22 Te06 87.0(4) 4_466 . ? Pb04 O22 Te06 114.4(4) 1_556 . ? Te03 O22 Te06 82.5(3) 1_556 . ? S01 O22 Pb02 39.1(5) . . ? Pb01 O22 Pb02 83.7(3) 4_466 . ? Pb04 O22 Pb02 124.5(4) 1_556 . ? Te03 O22 Pb02 133.2(4) 1_556 . ? Te06 O22 Pb02 52.36(17) . . ? S01 O22 Te01 97.1(6) . 1_556 ? Pb01 O22 Te01 80.2(3) 4_466 1_556 ? Pb04 O22 Te01 76.9(3) 1_556 1_556 ? Te03 O22 Te01 93.1(3) 1_556 1_556 ? Te06 O22 Te01 166.9(4) . 1_556 ? Pb02 O22 Te01 127.8(3) . 1_556 ? S02 O23 Pb03 128.6(9) . 4_465 ? S02 O23 Te05 145.4(10) . 1_455 ? Pb03 O23 Te05 85.8(5) 4_465 1_455 ? S02 O23 Pb02 78.5(7) . . ? Pb03 O23 Pb02 150.0(6) 4_465 . ? Te05 O23 Pb02 68.9(3) 1_455 . ? S02 O23 Te06 71.6(6) . 4_465 ? Pb03 O23 Te06 59.8(3) 4_465 4_465 ? Te05 O23 Te06 141.5(5) 1_455 4_465 ? Pb02 O23 Te06 135.5(5) . 4_465 ? S02 O23 Te04 85.2(7) . 1_556 ? Pb03 O23 Te04 117.4(5) 4_465 1_556 ? Te05 O23 Te04 74.2(3) 1_455 1_556 ? Pb02 O23 Te04 71.9(3) . 1_556 ? Te06 O23 Te04 135.2(4) 4_465 1_556 ? S02 O24 Pb03 130.5(8) . . ? S02 O24 Te06 142.1(9) . 4_465 ? Pb03 O24 Te06 87.5(4) . 4_465 ? S02 O24 Te03 90.6(6) . 4_466 ? Pb03 O24 Te03 93.3(5) . 4_466 ? Te06 O24 Te03 86.4(4) 4_465 4_466 ? S02 O24 Pb03 76.5(6) . 4_465 ? Pb03 O24 Pb03 149.2(5) . 4_465 ? Te06 O24 Pb03 67.2(3) 4_465 4_465 ? Te03 O24 Pb03 102.0(3) 4_466 4_465 ? S02 O24 Pb01 46.8(5) . 4_466 ? Pb03 O24 Pb01 98.2(4) . 4_466 ? Te06 O24 Pb01 141.5(5) 4_465 4_466 ? Te03 O24 Pb01 55.35(19) 4_466 4_466 ? Pb03 O24 Pb01 112.5(3) 4_465 4_466 ? S02 O24 Te06 72.4(6) . . ? Pb03 O24 Te06 60.2(3) . . ? Te06 O24 Te06 143.1(4) 4_465 . ? Te03 O24 Te06 111.0(3) 4_466 . ? Pb03 O24 Te06 134.3(4) 4_465 . ? Pb01 O24 Te06 66.5(2) 4_466 . ? S02 O25 Pb02 129.4(11) . . ? S02 O25 Te06 142.9(10) . . ? Pb02 O25 Te06 82.3(5) . . ? S02 O25 Pb01 85.6(10) . 4_466 ? Pb02 O25 Pb01 111.7(6) . 4_466 ? Te06 O25 Pb01 100.8(6) . 4_466 ? S02 O25 Pb03 75.4(7) . . ? Pb02 O25 Pb03 141.5(7) . . ? Te06 O25 Pb03 67.6(3) . . ? Pb01 O25 Pb03 97.6(5) 4_466 . ? S02 O25 Te05 70.1(8) . 1_455 ? Pb02 O25 Te05 59.4(4) . 1_455 ? Te06 O25 Te05 135.5(7) . 1_455 ? Pb01 O25 Te05 113.3(5) 4_466 1_455 ? Pb03 O25 Te05 130.7(5) . 1_455 ? S02 O26 Pb01 117.6(9) . 4_466 ? S02 O26 Te03 123.3(8) . 4_466 ? Pb01 O26 Te03 83.9(5) 4_466 4_466 ? S02 O26 Te04 112.9(8) . 1_556 ? Pb01 O26 Te04 71.6(4) 4_466 1_556 ? Te03 O26 Te04 123.8(5) 4_466 1_556 ? S02 O26 Te02 156.9(8) . 4_466 ? Pb01 O26 Te02 83.1(4) 4_466 4_466 ? Te03 O26 Te02 65.8(3) 4_466 4_466 ? Te04 O26 Te02 61.7(2) 1_556 4_466 ? S02 O26 Pb03 60.5(5) . 4_465 ? Pb01 O26 Pb03 169.1(6) 4_466 4_465 ? Te03 O26 Pb03 106.2(4) 4_466 4_465 ? Te04 O26 Pb03 98.9(3) 1_556 4_465 ? Te02 O26 Pb03 97.2(3) 4_466 4_465 ? S02 O26 Pb03 52.0(5) . . ? Pb01 O26 Pb03 95.9(4) 4_466 . ? Te03 O26 Pb03 75.5(3) 4_466 . ? Te04 O26 Pb03 154.0(5) 1_556 . ? Te02 O26 Pb03 141.2(4) 4_466 . ? Pb03 O26 Pb03 90.7(3) 4_465 . ? _refine_diff_density_max 3.633 _refine_diff_density_min -3.912 _refine_diff_density_rms 0.393 _shelx_res_file ; TITL eztlite377s_a.res in Cm eztlite377s_a.res created by SHELXL-2016/6 at 16:16:24 on 25-Apr-2018 REM Old TITL eztlite377s in C2 REM SHELXT solution in Cm REM R1 0.071, Rweak 0.025, Alpha 0.002, Orientation as input REM Flack x = 0.056 ( 0.004 ) from Parsons' quotients REM Formula found by SHELXT: O47 S2 Cl3 Fe9 Te9 Pb6 CELL 0.71073 11.4659 19.7754 10.4970 90.000 102.623 90.000 ZERR 2.000 0.0023 0.0040 0.0021 0.000 0.030 0.000 LATT -7 SYMM X, -Y, Z SFAC O S CL FE TE PB UNIT 90 6 6 18 18 12 OMIT -1 1 1 OMIT 0 4 0 OMIT 1 1 -1 OMIT 0 2 0 OMIT -1 1 0 OMIT -9 21 -3 OMIT 1 1 0 OMIT -4 2 5 OMIT -2 2 1 OMIT 0 2 1 OMIT 3 17 -11 OMIT 0 4 -1 OMIT 0 4 3 OMIT -2 10 -13 OMIT 3 5 -3 OMIT 1 1 -2 OMIT -1 1 2 OMIT -3 5 3 OMIT -4 14 -11 OMIT -1 3 3 OMIT 1 5 -3 OMIT 6 24 6 SIZE 0.004 0.005 0.005 CONN 9 3.4 $Pb CONN 9 3.5 $Te CONN 6 2.2 $Fe CONN 4 1.6 $S L.S. 10 LIST 6 FMAP 2 PLAN 20 ACTA WGHT 0.037000 FVAR 0.07908 PB01 6 0.840635 0.857426 0.107401 11.00000 0.01553 0.01445 = 0.02768 0.00176 0.00842 0.00092 PB02 6 0.244301 0.500000 0.699447 10.50000 0.01520 0.01760 = 0.02369 0.00000 0.00782 0.00000 PB03 6 0.284602 0.817193 0.700737 11.00000 0.03156 0.01655 = 0.02869 -0.00060 0.00942 0.00548 PB04 6 0.761002 0.500000 0.115906 10.50000 0.04451 0.01648 = 0.02700 0.00000 0.01019 0.00000 TE01 5 0.558173 0.500000 0.472564 10.50000 0.01192 0.00950 = 0.02118 0.00000 0.00706 0.00000 TE02 5 0.524626 0.832665 0.308395 11.00000 0.01295 0.00976 = 0.02445 0.00032 0.00741 -0.00036 TE03 5 0.672133 0.688869 0.117700 11.00000 0.01464 0.01032 = 0.01925 -0.00048 0.00643 -0.00035 TE04 5 0.109650 0.500000 0.117095 10.50000 0.01374 0.01437 = 0.02026 0.00000 0.00634 0.00000 TE05 5 0.897373 0.500000 0.684521 10.50000 0.01316 0.01665 = 0.01902 0.00000 0.00466 0.00000 TE06 5 0.451448 0.647451 0.688378 11.00000 0.01639 0.01039 = 0.01954 -0.00022 0.00645 0.00094 FE01 4 0.812059 0.768236 0.407945 11.00000 0.01048 0.00760 = 0.02020 -0.00006 0.00688 -0.00054 FE02 4 0.008299 0.500000 0.404903 10.50000 0.01057 0.00813 = 0.02290 0.00000 0.00865 0.00000 FE03 4 0.557652 0.667655 0.402209 11.00000 0.01067 0.00727 = 0.02436 -0.00005 0.00725 0.00028 FE04 4 0.283097 0.576310 0.400054 11.00000 0.01184 0.00722 = 0.02191 0.00056 0.00790 -0.00008 FE05 4 0.787399 0.592126 0.401470 11.00000 0.01077 0.00857 = 0.02169 -0.00029 0.00669 -0.00035 S01 2 0.459558 0.500000 0.986437 10.50000 0.01688 0.01668 = 0.02340 0.00000 0.00621 0.00000 S02 2 0.126649 0.668604 0.815208 11.00000 0.02875 0.02552 = 0.03791 0.00459 0.01159 0.00408 CL01 3 0.893903 0.746122 -0.043540 10.75000 0.03187 0.05572 = 0.03719 -0.02506 0.00054 0.00859 CL02 3 0.222210 0.921308 0.865453 10.75000 0.06643 0.05130 = 0.04958 -0.02211 0.02685 -0.00834 O1 1 0.467314 0.898733 0.408419 11.00000 0.00822 0.00804 = 0.04691 -0.00401 0.01138 0.00118 O2 1 0.569609 0.645950 0.589994 11.00000 0.01279 0.02028 = 0.01948 0.00138 0.00948 0.00150 O3 1 0.484388 0.762379 0.412142 11.00000 0.01397 0.00535 = 0.02956 -0.00044 0.01565 -0.00073 O4 1 0.400027 0.500000 0.378503 10.50000 0.01729 0.01033 = 0.01873 0.00000 0.00877 0.00000 O5 1 0.681037 0.838087 0.411428 11.00000 0.01444 0.00482 = 0.03330 -0.00292 0.00628 -0.00401 O6 1 0.735785 0.685050 0.440746 11.00000 0.01516 0.00638 = 0.01120 -0.00307 0.00473 0.00161 O7 1 0.389873 0.643567 0.358823 11.00000 0.01017 0.01255 = 0.02369 0.00094 0.00934 -0.00281 O8 1 0.805101 0.570394 0.590153 11.00000 0.01545 0.00965 = 0.02470 -0.00116 0.00608 0.00819 O9 1 0.363047 0.718512 0.599216 11.00000 0.02376 0.00819 = 0.02035 0.00133 0.00801 0.00426 O10 1 0.181471 0.500000 0.440951 10.50000 0.01814 0.01262 = 0.01133 0.00000 0.00571 0.00000 O11 1 0.359717 0.576778 0.591043 11.00000 0.01731 0.01097 = 0.01831 0.00393 0.00508 -0.00111 O12 1 0.822114 0.500000 0.357564 10.50000 0.00718 0.00803 = 0.02786 0.00000 0.01003 0.00000 O13 1 1.020298 0.500000 0.594284 10.50000 0.01506 0.02557 = 0.03028 0.00000 0.00787 0.00000 O14 1 0.764205 0.759485 0.211162 11.00000 0.03224 0.01400 = 0.02556 -0.00300 0.00426 -0.01168 O15 1 0.766494 0.618921 0.210708 11.00000 0.01711 0.01009 = 0.02347 0.00225 0.00905 0.00278 O16 1 0.608060 0.570043 0.375121 11.00000 0.01404 0.00328 = 0.02543 0.00132 0.00971 -0.00641 O17 1 0.197380 0.571498 0.213151 11.00000 0.02541 0.00882 = 0.02909 -0.00573 0.00819 -0.00032 O18 1 0.551000 0.691645 0.215301 11.00000 0.01468 0.01517 = 0.02422 0.00910 0.00614 0.00197 O19 1 -0.010695 0.500000 0.212092 10.50000 0.00925 0.08431 = 0.02880 0.00000 0.01321 0.00000 O20 1 0.449131 0.500000 0.841053 10.50000 0.02203 0.05330 = 0.03360 0.00000 -0.00451 0.00000 O21 1 0.335986 0.500000 1.011146 10.50000 0.01521 0.04099 = 0.03616 0.00000 0.00652 0.00000 O22 1 0.527335 0.560300 1.045779 11.00000 0.03205 0.02472 = 0.03576 -0.00957 0.00835 -0.00942 O23 1 0.010082 0.631947 0.759999 11.00000 0.04316 0.03455 = 0.04760 -0.00630 0.01026 -0.00207 O24 1 0.119357 0.739720 0.763603 11.00000 0.02761 0.03838 = 0.04090 0.02078 0.00948 0.00977 O25 1 0.231098 0.631205 0.789117 11.00000 0.04073 0.03123 = 0.10050 0.01237 0.03705 0.01046 O26 1 0.137811 0.672816 0.960093 11.00000 0.03108 0.04140 = 0.04610 0.01190 0.00715 -0.00347 HKLF 4 REM eztlite377s_a.res in Cm REM R1 = 0.0360 for 6519 Fo > 4sig(Fo) and 0.0392 for all 7016 data REM 364 parameters refined using 2 restraints END WGHT 0.0370 0.0000 REM Highest difference peak 3.633, deepest hole -3.912, 1-sigma level 0.393 Q1 1 -0.0221 0.5944 0.0398 11.00000 0.05 3.63 Q2 1 0.3259 0.9062 0.9355 11.00000 0.05 3.24 Q3 1 0.2144 0.5000 0.6181 10.50000 0.05 2.55 Q4 1 0.5835 0.5000 0.5479 10.50000 0.05 2.40 Q5 1 0.8120 0.5000 0.1038 10.50000 0.05 2.31 Q6 1 0.8689 0.8571 0.1791 11.00000 0.05 2.25 Q7 1 0.8124 0.8550 0.0202 11.00000 0.05 2.24 Q8 1 0.2743 0.5000 0.7944 10.50000 0.05 2.21 Q9 1 0.5278 0.5000 0.4076 10.50000 0.05 2.11 Q10 1 -0.0227 0.6571 0.9691 11.00000 0.05 2.10 Q11 1 0.3185 0.8181 0.7832 11.00000 0.05 2.06 Q12 1 0.1368 0.5000 0.2125 10.50000 0.05 2.00 Q13 1 0.2520 0.8189 0.6127 11.00000 0.05 2.00 Q14 1 0.0685 0.5000 0.0473 10.50000 0.05 1.91 Q15 1 0.5533 0.8327 0.3959 11.00000 0.05 1.89 Q16 1 0.8754 0.5000 0.6416 10.50000 0.05 1.76 Q17 1 0.4806 0.6482 0.7707 11.00000 0.05 1.74 Q18 1 0.3576 0.5000 0.2849 10.50000 0.05 1.73 Q19 1 0.8065 0.8242 0.1187 11.00000 0.05 1.72 Q20 1 0.6451 0.6916 0.0387 11.00000 0.05 1.71 ; _shelx_res_checksum 82268 _shelx_hkl_file ; 0 0 -1 625.94 48.20 0 0 -1 578.04 47.10 0 0 1 681.13 48.50 0 0 1 615.54 47.30 0 0 -2 1666.43 132.69 0 0 -2 1711.03 134.69 0 0 2 1845.62 134.89 0 0 2 1817.92 133.79 0 0 -3 9999.00 729.63 0 0 -3 9763.32 725.63 0 0 3 9562.74 725.23 0 0 3 9301.07 722.43 0 0 -4 4819.62 354.26 0 0 -4 4800.02 357.76 0 0 4 4527.15 351.96 0 0 4 4608.14 353.76 0 0 -5 2135.99 168.18 0 0 5 2131.19 162.58 0 0 -6 260.57 23.10 0 0 6 265.27 24.00 0 0 -7 5659.23 428.06 0 0 -7 5883.91 437.26 0 0 7 5687.93 427.46 0 0 7 5432.36 426.66 0 0 -8 572.14 46.20 0 0 -8 574.94 55.19 0 0 8 515.85 44.50 0 0 8 537.65 45.60 0 0 -9 486.65 51.29 0 0 -9 494.25 40.90 0 0 9 449.66 38.60 0 0 9 437.36 39.20 0 0 -10 3264.07 274.67 0 0 -10 3713.83 267.47 0 0 10 3410.06 263.07 0 0 10 3404.46 263.87 0 0 -11 1026.90 96.09 0 0 -11 1022.10 84.09 0 0 11 1019.70 81.69 0 0 11 1012.10 81.89 0 0 -12 541.25 52.49 0 0 -12 496.35 63.79 0 0 12 597.24 49.50 0 0 12 655.53 50.89 0 0 -13 137.79 30.10 0 0 -13 133.89 19.90 0 0 13 113.79 14.90 0 0 13 118.59 15.40 0 0 -14 737.13 64.19 0 0 -14 659.03 76.89 0 0 14 648.24 57.39 0 0 14 709.03 57.49 -1 1 14 16.40 6.10 -1 1 14 15.60 5.80 1 -1 -14 9.50 10.10 1 -1 -14 2.00 14.50 -1 1 13 5.00 4.80 1 -1 -13 14.10 9.30 -1 1 12 8.80 5.10 -1 1 12 16.60 5.90 1 -1 -12 23.70 10.30 1 -1 -12 15.30 15.10 -1 1 11 65.99 9.60 -1 1 11 56.89 9.50 1 -1 -11 83.49 21.00 1 -1 -11 69.29 14.60 -1 1 10 8.50 4.90 -1 1 10 13.60 5.50 1 -1 -10 4.70 7.40 1 -1 -10 6.20 12.50 -1 1 9 67.99 9.40 -1 1 9 74.99 10.60 1 -1 -9 52.89 16.70 1 -1 -9 50.19 12.00 -1 1 8 207.98 20.70 -1 1 8 208.18 19.60 1 -1 -8 237.08 28.70 1 -1 -8 241.48 23.90 -1 1 7 6.10 4.10 -1 1 7 10.50 4.00 1 -1 -7 10.30 5.80 1 -1 -7 16.30 9.00 -1 1 6 6.50 3.30 -1 1 6 3.40 3.80 1 -1 -6 -0.10 3.90 1 -1 -6 8.80 7.00 -1 1 5 38.40 6.00 -1 1 5 39.70 6.60 1 -1 -5 51.49 7.80 1 -1 -5 65.79 9.80 -1 1 4 38.30 5.60 -1 1 4 33.80 5.40 1 -1 -4 35.60 6.70 1 -1 -4 34.20 6.60 -1 1 3 313.77 25.20 -1 1 3 300.57 25.00 1 -1 -3 323.57 26.50 1 -1 -3 306.97 25.30 -1 1 2 273.47 22.50 -1 1 2 258.97 21.30 1 -1 -2 257.27 21.30 1 -1 -2 301.97 23.50 -1 1 1 3.70 1.40 -1 1 1 6.00 4.20 1 -1 -1 7.60 5.20 1 -1 -1 2.50 1.30 -1 1 0 16.70 2.70 -1 1 0 19.20 8.30 1 -1 0 22.30 2.80 1 -1 0 26.90 9.00 -1 1 -1 30.90 10.30 -1 1 -1 38.90 4.60 -1 1 -2 417.46 37.40 -1 1 -2 396.46 31.70 1 -1 2 403.46 35.70 1 -1 2 411.86 32.20 -1 1 -3 16.70 10.50 -1 1 -3 20.50 3.80 1 -1 3 14.90 8.20 1 -1 3 21.40 4.00 -1 1 -4 47.80 6.30 -1 1 -4 51.09 13.90 1 -1 4 56.09 6.80 1 -1 4 55.69 10.70 -1 1 -5 17.50 4.30 -1 1 -5 19.90 11.60 1 -1 5 25.70 8.40 1 -1 5 17.90 4.60 -1 1 -6 10.80 4.00 -1 1 -6 13.70 11.80 1 -1 6 6.30 3.70 1 -1 6 7.50 5.90 -1 1 -7 58.59 17.10 -1 1 -7 54.79 8.10 1 -1 7 48.00 8.00 1 -1 7 49.00 9.70 -1 1 -8 41.40 18.00 -1 1 -8 47.40 8.40 1 -1 8 58.29 10.40 1 -1 8 55.79 9.00 -1 1 -9 44.90 19.20 1 -1 9 46.30 8.50 -1 1 -10 112.39 26.40 -1 1 -10 119.89 14.70 1 -1 10 109.39 14.30 1 -1 10 120.59 14.70 -1 1 -11 2.70 6.20 -1 1 -11 23.50 16.90 1 -1 11 2.60 4.70 1 -1 11 5.60 4.90 -1 1 -12 -11.00 16.70 1 -1 12 0.90 5.00 -1 1 -13 4.20 16.40 -1 1 -13 8.60 7.10 1 -1 13 4.40 5.10 1 -1 13 1.20 4.70 -1 1 -14 -3.70 16.60 1 -1 14 2.40 5.50 -2 2 14 9.20 5.50 2 -2 -14 0.40 16.40 -2 2 13 9.70 5.00 -2 2 13 11.90 5.30 2 -2 -13 12.90 10.60 2 -2 -13 15.90 13.90 -2 2 12 16.60 5.30 -2 2 12 12.50 5.60 2 -2 -12 4.10 12.50 2 -2 -12 5.40 9.30 -2 2 11 24.40 6.60 -2 2 11 26.10 6.60 2 -2 -11 21.60 11.60 2 -2 -11 16.40 13.00 -2 2 10 18.60 5.30 -2 2 10 11.10 5.80 2 -2 -10 34.50 14.00 2 -2 -10 35.80 12.40 -2 2 9 44.80 7.30 -2 2 9 52.29 8.70 2 -2 -9 46.00 12.40 2 -2 -9 48.90 13.40 -2 2 8 56.19 7.60 -2 2 8 63.39 8.40 2 -2 -8 33.90 11.20 2 -2 -8 38.50 11.20 -2 2 7 1.70 3.00 -2 2 7 4.70 3.70 2 -2 -7 3.00 6.20 2 -2 -7 5.80 5.70 -2 2 6 20.70 4.70 -2 2 6 22.10 4.60 2 -2 -6 17.70 7.70 2 -2 -6 18.10 5.80 -2 2 5 258.07 23.30 -2 2 5 267.37 23.20 2 -2 -5 296.27 24.10 2 -2 -5 292.47 27.20 -2 2 4 163.28 14.50 -2 2 4 141.59 15.20 2 -2 -4 182.98 15.10 2 -2 -4 165.88 18.30 -2 2 3 146.59 11.90 -2 2 3 143.19 14.20 2 -2 -3 117.69 11.50 2 -2 -3 124.59 16.00 -2 2 2 200.58 17.20 -2 2 2 228.08 21.30 2 -2 -2 216.08 22.20 2 -2 -2 213.58 17.50 -2 2 1 20.60 3.60 -2 2 1 28.20 9.70 2 -2 -1 10.00 9.30 -2 2 0 1.20 11.70 -2 2 0 8.30 3.20 2 -2 0 13.50 3.40 2 -2 0 8.30 12.00 2 -2 1 98.09 17.60 2 -2 1 98.29 9.80 -2 2 -2 197.08 16.90 -2 2 -2 202.38 26.90 2 -2 2 199.78 17.50 2 -2 2 196.68 24.10 -2 2 -3 154.48 13.90 -2 2 -3 150.88 23.70 2 -2 3 162.88 15.10 2 -2 3 143.29 20.10 -2 2 -4 306.57 35.60 2 -2 4 290.67 25.30 -2 2 -5 2.80 3.10 2 -2 5 8.30 8.50 -2 2 -6 10.10 13.50 -2 2 -6 7.20 3.70 2 -2 6 7.20 4.10 2 -2 6 7.20 7.60 -2 2 -7 9.50 4.50 -2 2 -7 9.40 13.20 2 -2 7 24.40 5.80 2 -2 7 26.20 9.60 -2 2 -8 106.89 26.90 -2 2 -8 90.59 11.10 2 -2 8 99.39 15.00 2 -2 8 104.49 12.80 -2 2 -9 13.20 5.40 -2 2 -9 14.80 17.40 2 -2 9 4.50 6.10 2 -2 9 1.90 4.90 -2 2 -10 2.90 17.00 -2 2 -10 6.40 4.80 2 -2 10 10.70 6.90 2 -2 10 11.90 5.90 -2 2 -11 23.80 7.40 -2 2 -11 27.10 19.00 2 -2 11 28.10 7.90 2 -2 11 32.80 8.90 -2 2 -12 8.00 6.30 2 -2 12 10.20 5.80 -2 2 -13 20.20 7.70 -2 2 -13 23.10 19.50 2 -2 13 30.30 8.70 2 -2 13 32.30 7.60 -3 3 14 171.88 18.50 -3 3 14 160.68 17.70 3 -3 -14 177.08 31.00 3 -3 -14 154.48 29.30 -3 3 13 381.06 32.70 -3 3 13 351.36 30.80 3 -3 -13 341.97 42.50 3 -3 -13 293.07 41.80 -3 3 12 133.59 14.70 -3 3 12 125.29 13.20 3 -3 -12 83.69 20.30 3 -3 -12 68.59 20.00 -3 3 11 920.31 73.99 -3 3 11 994.20 76.09 3 -3 -11 921.41 83.99 3 -3 -11 880.71 81.19 -3 3 10 20.50 6.90 -3 3 10 27.20 6.40 3 -3 -10 61.09 13.70 3 -3 -10 52.09 15.80 -3 3 9 2290.97 174.18 -3 3 9 2143.69 172.58 3 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223.88 3 -3 4 3012.10 232.88 3 -3 4 2974.80 225.98 -3 3 -5 3720.63 293.17 -3 3 -5 3696.33 277.77 3 -3 5 3730.83 279.57 3 -3 5 3513.95 283.37 -3 3 -6 1005.70 84.79 -3 3 -6 1091.79 101.59 3 -3 6 1159.88 87.89 3 -3 6 1181.78 93.59 -3 3 -7 72.39 22.80 -3 3 -7 62.09 8.80 3 -3 7 64.59 10.40 3 -3 7 62.29 14.50 -3 3 -8 2329.17 187.98 3 -3 8 2078.89 167.58 -3 3 -9 141.39 14.80 -3 3 -9 130.19 32.00 3 -3 9 142.59 19.10 3 -3 9 137.29 16.60 -3 3 -10 608.74 75.09 -3 3 -10 698.63 56.09 3 -3 10 662.13 57.99 3 -3 10 696.13 57.49 -3 3 -11 309.67 54.69 3 -3 11 470.15 39.70 -3 3 -12 82.79 30.50 -3 3 -12 99.19 13.80 3 -3 12 105.29 14.90 3 -3 12 133.39 16.90 -3 3 -13 298.77 51.19 3 -3 13 279.87 29.50 -4 4 14 35.60 7.20 -4 4 14 27.50 7.30 4 -4 -14 30.70 15.50 4 -4 -14 32.90 17.70 -4 4 13 61.29 8.80 -4 4 13 57.69 10.10 4 -4 -13 43.70 18.70 4 -4 -13 63.49 17.60 -4 4 12 45.00 7.90 -4 4 12 43.30 8.60 4 -4 -12 61.79 20.30 4 -4 -12 66.69 15.80 -4 4 11 20.40 6.20 -4 4 11 22.80 5.80 4 -4 -11 54.09 13.30 4 -4 -11 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198.18 36.40 -4 4 -5 188.88 18.00 4 -4 5 205.38 19.80 4 -4 5 226.58 28.10 -4 4 -6 162.38 34.60 -4 4 -6 156.38 14.60 4 -4 6 127.59 22.30 4 -4 6 133.89 16.30 -4 4 -7 122.49 12.40 -4 4 -7 109.69 30.70 4 -4 7 92.89 13.80 4 -4 7 84.09 17.80 -4 4 -8 162.58 16.90 4 -4 8 212.18 25.00 -4 4 -9 27.20 22.50 -4 4 -9 22.50 6.10 4 -4 9 31.20 11.20 4 -4 9 28.60 8.50 -4 4 -10 69.39 10.20 -4 4 -10 62.69 28.30 4 -4 10 77.79 12.70 4 -4 10 78.59 14.40 -4 4 -11 78.59 10.70 -4 4 -11 68.29 31.20 4 -4 11 46.10 14.80 4 -4 11 66.79 12.70 -4 4 -12 19.30 23.60 -4 4 -12 5.50 4.70 4 -4 12 11.20 6.80 4 -4 12 15.90 7.50 -5 5 14 32.80 6.50 -5 5 14 27.40 7.20 5 -5 -14 11.00 15.10 5 -5 -14 21.10 12.70 -5 5 13 59.49 10.10 5 -5 -13 32.10 21.30 -5 5 12 6.80 4.40 -5 5 12 5.80 4.60 5 -5 -12 -4.50 12.50 5 -5 -12 0.70 7.80 -5 5 11 40.20 7.30 -5 5 11 43.00 8.10 5 -5 -11 36.20 10.00 5 -5 -11 32.60 17.30 -5 5 10 61.89 9.50 -5 5 10 74.49 10.70 5 -5 -10 86.79 23.30 5 -5 -10 99.09 13.40 -5 5 9 241.08 21.90 -5 5 9 248.38 22.20 5 -5 -9 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581.84 55.79 6 -6 6 551.84 49.20 -6 6 -7 103.79 36.60 -6 6 -7 133.69 13.60 6 -6 7 127.49 17.60 6 -6 7 109.79 21.90 -6 6 -8 30.00 6.10 -6 6 -8 18.70 22.90 6 -6 8 45.60 10.70 6 -6 8 51.69 14.80 -6 6 -9 573.84 45.50 -6 6 -9 379.86 70.59 6 -6 9 571.44 49.40 6 -6 9 537.05 52.49 -6 6 -10 59.89 8.50 -6 6 -10 43.30 28.30 6 -6 10 48.70 12.80 6 -6 10 56.39 11.90 -6 6 -11 20.60 24.50 6 -6 11 51.39 11.70 -7 7 14 72.79 9.90 7 -7 -14 43.10 13.00 -7 7 13 3.90 4.20 -7 7 13 4.90 4.70 7 -7 -13 17.00 9.10 7 -7 -13 24.90 18.30 -7 7 12 175.88 17.60 7 -7 -12 148.79 20.50 7 -7 -11 3.10 5.20 7 -7 -11 2.00 15.50 -7 7 10 239.28 23.70 -7 7 10 255.27 24.10 7 -7 -10 262.07 24.10 7 -7 -10 199.08 38.40 -7 7 9 166.78 20.90 -7 7 9 205.88 19.60 7 -7 -9 183.88 35.40 7 -7 -9 191.48 20.50 -7 7 8 147.09 19.90 7 -7 -8 211.48 18.30 -7 7 7 213.78 18.70 -7 7 7 201.18 21.90 7 -7 -7 115.29 29.90 7 -7 -7 141.39 16.00 -7 7 6 79.09 10.20 -7 7 6 80.99 14.70 7 -7 -6 72.09 9.00 7 -7 -6 61.49 22.50 -7 7 5 524.85 51.89 -7 7 5 567.44 46.70 7 -7 -5 600.64 65.99 7 -7 -5 547.25 44.80 -7 7 4 407.76 45.50 -7 7 4 447.06 38.70 7 -7 -4 459.25 57.79 7 -7 -4 479.05 37.80 -7 7 3 397.56 37.20 -7 7 3 334.87 44.30 7 -7 -3 519.25 59.59 7 -7 -3 500.65 37.10 7 -7 -2 362.06 50.19 7 -7 -2 319.57 27.90 -7 7 1 624.34 72.99 -7 7 1 692.73 60.49 7 -7 -1 881.31 61.59 -7 7 0 410.96 49.20 7 -7 0 263.17 25.60 7 -7 0 295.07 44.60 -7 7 -1 557.64 46.80 -7 7 -1 519.45 66.99 7 -7 1 557.64 63.19 7 -7 1 579.44 47.60 -7 7 -2 598.24 49.10 -7 7 -2 561.74 72.49 7 -7 2 552.84 62.19 7 -7 2 604.84 50.19 -7 7 -3 29.70 6.80 -7 7 -3 29.50 26.30 7 -7 3 63.99 10.70 7 -7 3 66.69 19.80 -7 7 -4 208.18 48.90 7 -7 4 218.58 42.00 7 -7 4 318.67 29.00 -7 7 -5 177.48 17.70 -7 7 -6 229.28 21.70 -7 7 -6 175.68 47.80 7 -7 6 256.67 26.00 7 -7 6 249.18 33.30 -7 7 -7 154.28 46.20 -7 7 -7 205.98 19.90 7 -7 7 240.08 25.30 7 -7 7 229.38 30.70 -7 7 -8 11.80 23.70 7 -7 8 58.19 11.60 7 -7 8 32.60 15.70 -7 7 -9 220.98 21.10 -7 7 -9 196.88 49.40 7 -7 9 232.38 28.70 7 -7 9 228.28 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1238.28 99.19 -8 8 0 1218.98 120.19 8 -8 0 1229.18 98.69 8 -8 0 1365.46 121.89 -8 8 -1 127.09 34.90 -8 8 -1 141.69 16.70 8 -8 1 211.98 35.80 8 -8 1 184.28 18.30 -8 8 -2 552.14 78.39 8 -8 2 684.73 55.89 -8 8 -3 331.77 30.30 -8 8 -3 282.27 56.59 8 -8 3 365.46 33.50 8 -8 3 337.47 43.60 -8 8 -4 92.99 37.00 -8 8 -4 120.59 12.80 8 -8 4 79.39 14.30 8 -8 4 82.09 22.90 8 -8 5 226.38 25.20 8 -8 5 255.87 35.70 -8 8 -6 28.60 28.50 -8 8 -6 42.00 7.80 8 -8 6 84.79 20.50 8 -8 6 68.49 12.90 -8 8 -7 529.25 43.10 -8 8 -7 364.96 72.29 8 -8 7 567.14 48.10 8 -8 7 524.65 53.79 -8 8 -8 0.60 3.30 -8 8 -8 -4.20 22.70 8 -8 8 11.20 7.40 8 -8 8 5.60 11.40 -8 8 -9 29.50 28.10 -8 8 -9 40.80 7.00 8 -8 9 25.30 12.20 8 -8 9 23.20 8.70 -9 9 13 5.20 5.30 -9 9 13 7.50 4.40 9 -9 -13 15.00 7.00 -9 9 12 34.60 7.80 -9 9 12 35.00 8.30 9 -9 -12 28.10 7.80 9 -9 -12 13.20 19.30 -9 9 11 78.49 12.60 9 -9 -11 74.49 11.30 9 -9 -11 76.99 28.10 -9 9 10 102.39 14.30 -9 9 10 94.09 13.00 9 -9 -10 95.49 12.10 9 -9 -10 90.79 29.80 -9 9 9 88.69 14.50 -9 9 9 97.69 13.20 9 -9 -9 91.39 30.20 9 -9 -9 98.09 11.50 -9 9 8 19.40 8.90 -9 9 8 22.20 6.70 9 -9 -8 51.09 24.20 -9 9 7 30.70 7.80 -9 9 7 24.60 10.40 9 -9 -7 28.30 23.40 9 -9 -7 29.60 5.80 -9 9 6 182.68 18.70 -9 9 6 179.48 24.70 9 -9 -6 152.38 15.80 9 -9 -6 145.59 37.30 -9 9 5 83.49 12.50 -9 9 5 91.49 19.50 9 -9 -5 87.19 10.40 9 -9 -5 97.89 31.00 -9 9 4 297.57 35.90 9 -9 -4 263.17 24.40 -9 9 3 47.40 18.40 9 -9 -3 101.49 11.40 -9 9 2 198.68 33.80 9 -9 -2 206.78 19.40 -9 9 1 273.87 26.70 -9 9 1 309.07 43.40 9 -9 -1 264.17 24.90 9 -9 -1 238.88 46.50 -9 9 0 99.19 29.10 -9 9 0 100.79 13.50 9 -9 0 114.79 31.30 9 -9 0 123.29 13.70 -9 9 -1 107.79 13.60 9 -9 1 124.89 29.50 -9 9 -2 11.30 22.40 -9 9 -2 7.60 5.20 9 -9 2 16.60 6.80 9 -9 2 11.80 15.80 -9 9 -3 30.00 7.30 -9 9 -3 20.80 27.20 9 -9 3 34.90 17.60 9 -9 3 33.50 9.50 -9 9 -4 66.49 32.90 -9 9 -4 92.09 11.40 9 -9 4 67.09 21.20 9 -9 4 55.99 11.90 -9 9 -5 38.20 30.40 -9 9 -5 25.80 6.00 9 -9 5 33.40 16.40 9 -9 5 36.40 9.30 -9 9 -6 75.89 10.30 9 -9 6 70.29 21.40 -9 9 -7 0.30 3.60 -9 9 -7 5.00 24.80 9 -9 7 2.10 6.00 9 -9 7 2.40 11.30 -9 9 -8 21.60 26.00 -9 9 -8 17.10 5.70 9 -9 8 24.20 8.90 9 -9 8 16.70 13.70 -10 10 12 11.80 5.90 -10 10 12 10.70 5.90 10 -10 -12 12.70 19.80 10 -10 -12 16.90 6.10 -10 10 11 182.58 19.00 -10 10 11 180.78 18.70 10 -10 -11 97.09 33.10 10 -10 -11 121.19 15.60 -10 10 10 57.29 12.60 -10 10 10 64.09 12.70 10 -10 -10 101.29 12.20 10 -10 -10 80.19 32.90 -10 10 9 86.79 12.30 -10 10 9 86.29 14.80 10 -10 -9 87.99 11.00 10 -10 -9 62.19 28.20 -10 10 8 74.99 14.10 10 -10 -8 35.80 6.50 10 -10 -8 31.70 24.10 -10 10 7 238.78 25.20 -10 10 7 198.18 28.10 10 -10 -7 307.07 24.50 10 -10 -7 229.98 46.30 -10 10 6 74.89 17.00 -10 10 6 86.49 13.20 10 -10 -6 43.10 25.70 -10 10 5 204.58 22.20 -10 10 5 156.68 27.30 10 -10 -5 237.38 20.30 10 -10 -5 206.98 43.70 -10 10 4 386.86 45.30 -10 10 4 392.56 36.40 10 -10 -4 399.76 34.00 10 -10 -4 423.26 60.69 -10 10 3 90.49 22.30 -10 10 3 86.59 12.30 10 -10 -3 128.79 34.60 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11 9 752.62 63.39 11 -11 -9 708.43 57.79 11 -11 -9 706.43 97.39 -11 11 8 101.79 17.30 -11 11 8 86.59 14.10 11 -11 -8 109.89 11.80 11 -11 -8 112.59 35.20 -11 11 7 293.17 33.20 -11 11 7 293.17 28.50 11 -11 -7 258.17 51.49 11 -11 -7 269.37 25.00 -11 11 6 1294.17 105.89 -11 11 6 1228.98 97.79 11 -11 -6 1232.48 126.09 11 -11 -6 1122.39 93.69 -11 11 5 355.86 41.00 -11 11 5 348.57 32.90 11 -11 -5 319.47 55.19 11 -11 -5 334.87 29.70 -11 11 4 751.02 74.09 -11 11 4 709.93 63.49 11 -11 -4 779.72 61.99 11 -11 -4 914.11 93.69 -11 11 3 189.18 20.50 -11 11 3 197.68 32.70 11 -11 -3 191.58 19.20 11 -11 -3 193.78 42.50 -11 11 2 1097.29 103.89 -11 11 2 1106.29 88.29 11 -11 -2 1070.99 86.39 11 -11 -2 1087.59 113.19 -11 11 1 389.86 35.40 -11 11 1 410.46 52.49 11 -11 -1 375.66 34.10 11 -11 -1 441.26 57.59 -11 11 0 174.18 36.50 -11 11 0 187.28 18.00 11 -11 0 133.59 16.50 11 -11 0 143.99 33.10 -11 11 -1 1132.59 118.99 11 -11 1 1201.78 94.49 -11 11 -2 15.10 22.80 -11 11 -2 21.20 6.60 11 -11 2 4.40 13.40 11 -11 2 13.40 5.90 -11 11 -3 325.27 60.49 -11 11 -3 428.66 35.00 11 -11 3 373.56 50.19 11 -11 3 378.56 36.60 -11 11 -4 180.58 46.80 -11 11 -4 219.58 21.30 11 -11 4 212.58 23.80 11 -11 4 234.28 36.30 -11 11 -5 227.48 20.40 -11 11 -5 186.78 47.90 11 -11 5 167.48 30.60 11 -11 5 178.38 23.10 -12 12 10 25.70 8.60 12 -12 -10 21.80 5.70 -12 12 9 43.20 11.10 -12 12 9 39.70 9.90 12 -12 -9 42.00 7.30 12 -12 -9 29.60 24.70 -12 12 8 8.50 6.40 12 -12 -8 14.20 21.60 12 -12 -8 5.90 3.60 -12 12 7 9.50 5.90 -12 12 7 14.30 9.10 12 -12 -7 18.80 22.20 12 -12 -7 4.10 3.20 -12 12 6 54.19 10.90 12 -12 -6 40.10 26.70 -12 12 5 58.79 11.30 -12 12 5 69.19 18.00 12 -12 -5 82.19 30.30 12 -12 -5 71.39 9.30 -12 12 4 278.67 26.20 -12 12 4 250.37 35.10 12 -12 -4 239.78 23.10 12 -12 -4 237.08 47.60 -12 12 3 24.10 6.90 -12 12 3 26.60 15.40 12 -12 -3 27.60 22.30 12 -12 -3 22.40 5.70 -12 12 2 92.89 12.90 -12 12 2 81.59 23.80 12 -12 -2 92.89 29.40 12 -12 -2 82.49 10.90 -12 12 1 197.48 20.30 12 -12 -1 136.19 34.80 -12 12 0 55.19 10.10 -12 12 0 34.20 21.50 12 -12 0 45.10 8.90 12 -12 0 37.90 20.20 -12 12 -1 63.79 10.20 -12 12 -1 49.40 24.60 12 -12 1 33.60 19.50 12 -12 1 50.49 9.60 -12 12 -2 -3.40 16.70 -12 12 -2 -1.80 3.90 12 -12 2 -6.80 13.90 12 -12 2 0.90 4.20 -12 12 -3 25.10 22.50 -12 12 -3 14.00 5.60 12 -12 3 19.50 16.40 12 -12 3 15.30 6.20 -13 13 8 47.60 12.40 13 -13 -8 34.30 6.40 -13 13 7 13.80 6.90 -13 13 7 18.00 9.50 13 -13 -7 26.20 5.50 13 -13 -7 48.40 27.40 -13 13 6 247.78 24.10 -13 13 6 224.98 30.20 13 -13 -6 201.88 20.20 13 -13 -6 182.58 43.20 -13 13 5 44.60 15.90 -13 13 5 66.29 11.10 13 -13 -5 47.90 7.90 13 -13 -5 42.00 24.70 -13 13 4 80.29 12.50 -13 13 4 69.49 19.40 13 -13 -4 75.89 10.40 13 -13 -4 84.59 30.20 -13 13 3 218.38 21.20 -13 13 3 194.88 31.60 13 -13 -3 144.59 36.80 13 -13 -3 164.08 18.20 -13 13 2 140.39 28.90 -13 13 2 159.78 18.20 13 -13 -2 153.38 35.70 13 -13 -2 164.58 17.10 -13 13 1 73.19 11.40 -13 13 1 60.49 22.20 13 -13 -1 46.70 8.80 13 -13 -1 54.09 23.10 -13 13 0 49.40 9.70 -13 13 0 33.60 20.20 13 -13 0 43.90 8.50 13 -13 0 37.50 20.30 -13 13 -1 205.88 43.50 13 -13 1 229.88 23.10 13 -15 -2 81.99 11.20 -13 15 2 57.09 20.90 13 -15 -3 21.90 5.50 -13 15 3 44.80 16.10 13 -15 -4 75.09 10.30 -13 15 4 91.09 20.10 13 -15 -5 15.30 4.80 -13 15 5 8.70 9.90 12 -14 2 144.99 17.30 -12 14 -2 125.29 34.70 12 -14 1 45.90 20.70 12 -14 1 46.60 9.30 -12 14 -1 43.80 22.70 -12 14 -1 53.49 10.10 12 -14 0 81.99 25.80 12 -14 0 80.39 11.90 -12 14 0 78.49 12.10 -12 14 0 94.59 26.60 12 -14 -1 184.88 38.10 12 -14 -1 202.58 20.00 -12 14 1 154.58 32.60 -12 14 1 196.18 20.70 12 -14 -2 3.50 3.60 12 -14 -2 2.30 18.90 -12 14 2 18.70 14.00 -12 14 2 13.10 5.90 12 -14 -3 360.76 30.60 12 -14 -3 424.46 59.79 -12 14 3 323.67 31.70 -12 14 3 309.27 41.80 12 -14 -4 128.89 14.30 12 -14 -4 93.79 33.30 -12 14 4 149.19 25.90 -12 14 4 150.08 17.10 12 -14 -5 222.58 21.20 12 -14 -5 234.48 47.20 12 -14 -6 312.97 53.49 12 -14 -6 284.87 23.60 -12 14 6 227.28 25.80 -12 14 6 210.98 30.60 12 -14 -7 141.09 39.00 12 -14 -7 121.59 13.20 12 -14 -8 213.28 21.00 -12 14 8 247.08 28.60 11 -13 4 30.70 8.70 11 -13 4 42.70 18.80 -11 13 -4 33.70 26.60 -11 13 -4 44.30 8.00 11 -13 3 40.60 19.60 11 -13 3 58.49 11.00 -11 13 -3 50.59 9.50 -11 13 -3 44.90 27.00 11 -13 2 136.89 30.40 11 -13 2 143.69 16.60 -11 13 -2 95.39 32.00 -11 13 -2 134.89 16.30 11 -13 1 155.78 35.00 11 -13 1 198.48 23.30 -11 13 -1 203.58 44.00 -11 13 -1 245.38 22.40 11 -13 0 267.27 24.00 11 -13 0 218.88 41.70 -11 13 0 237.08 24.00 -11 13 0 181.18 38.20 11 -13 -1 -2.70 18.10 11 -13 -1 12.10 5.00 -11 13 1 10.70 14.90 -11 13 1 8.10 6.00 11 -13 -2 309.87 27.80 -11 13 2 266.67 39.70 11 -13 -3 62.09 9.20 -11 13 3 69.89 19.40 11 -13 -4 184.98 17.70 -11 13 4 158.48 27.50 11 -13 -5 128.09 12.90 11 -13 -5 110.49 36.40 -11 13 5 97.29 21.10 -11 13 5 86.49 16.50 11 -13 -6 -7.30 18.20 11 -13 -6 11.20 4.20 -11 13 6 16.70 10.70 -11 13 6 17.00 6.40 11 -13 -7 282.47 24.20 11 -13 -7 276.47 51.99 -11 13 7 236.78 31.40 -11 13 7 259.47 27.10 11 -13 -8 16.80 21.60 11 -13 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309.97 31.70 -7 9 -5 335.07 28.60 -7 9 -5 259.07 55.89 7 -9 4 183.88 31.70 7 -9 4 162.38 21.80 -7 9 -4 167.28 17.40 7 -9 3 42.40 9.80 -7 9 -3 72.69 30.00 7 -9 2 321.57 30.20 7 -9 2 298.97 43.70 -7 9 -2 316.87 29.10 -7 9 -2 369.86 56.09 7 -9 1 -11.10 15.70 7 -9 1 3.50 4.20 -7 9 -1 6.30 5.00 -7 9 -1 10.90 17.50 7 -9 0 44.20 23.10 7 -9 0 51.69 8.80 -7 9 0 82.79 10.40 -7 9 0 61.09 22.40 7 -9 -1 205.38 18.10 7 -9 -1 193.38 37.20 -7 9 1 148.69 17.50 -7 9 1 132.09 28.00 7 -9 -2 36.80 20.60 -7 9 2 59.99 18.40 -7 9 2 43.90 8.00 7 -9 -3 179.78 36.20 7 -9 -3 159.58 17.30 -7 9 3 207.68 20.00 -7 9 3 252.67 30.90 7 -9 -4 27.90 19.30 7 -9 -4 28.20 5.50 -7 9 4 28.10 6.60 -7 9 4 21.30 10.80 7 -9 -5 253.97 44.50 7 -9 -5 282.77 26.40 -7 9 5 359.56 29.30 -7 9 5 319.37 34.70 7 -9 -6 138.09 30.30 -7 9 6 97.49 12.60 -7 9 6 93.39 16.70 7 -9 -7 103.99 33.60 7 -9 -7 109.49 12.00 -7 9 7 122.09 17.70 7 -9 -8 343.87 52.09 -7 9 8 398.76 34.30 7 -9 -9 53.39 22.30 -7 9 9 38.00 7.70 -7 9 9 25.40 8.20 7 -9 -10 1.60 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0.20 20.40 -10 14 -4 21.80 6.10 10 -14 3 183.28 34.80 10 -14 3 216.18 22.70 10 -14 2 343.97 51.49 -10 14 -2 433.46 37.10 10 -14 1 225.48 41.40 10 -14 1 265.37 25.20 -10 14 -1 271.87 25.50 -10 14 -1 218.78 42.50 10 -14 0 343.77 30.80 -10 14 0 322.77 47.40 10 -14 -1 59.59 27.40 10 -14 -1 53.39 8.50 -10 14 1 46.80 20.00 -10 14 1 43.90 9.20 10 -14 -2 708.53 80.79 10 -14 -2 599.14 50.59 -10 14 2 593.34 65.09 -10 14 2 604.64 52.29 10 -14 -3 133.29 14.30 10 -14 -3 157.08 39.00 10 -14 -4 267.77 25.40 10 -14 -4 252.27 49.00 -10 14 4 304.27 28.70 -10 14 4 306.27 37.00 10 -14 -5 610.24 48.50 -10 14 5 537.45 51.19 -10 14 5 593.74 58.49 10 -14 -6 32.60 6.40 10 -14 -6 32.00 23.80 -10 14 6 68.19 16.00 -10 14 6 60.59 10.80 10 -14 -7 419.56 66.99 -10 14 7 514.05 44.30 10 -14 -8 120.89 36.20 -10 14 8 89.39 13.10 -10 14 8 86.89 16.10 10 -14 -9 246.28 49.00 10 -14 -9 202.38 20.40 -10 14 9 239.38 23.90 -10 14 9 216.38 25.30 10 -14 -10 77.79 10.70 -10 14 10 76.89 13.00 9 -13 7 5.20 6.50 -9 13 -7 -6.30 23.10 9 -13 6 5.40 6.10 9 -13 6 4.80 13.10 -9 13 -6 17.50 24.60 -9 13 -6 6.00 4.40 9 -13 5 44.00 18.90 9 -13 5 41.10 10.80 -9 13 -5 73.69 10.10 -9 13 -5 69.99 32.90 9 -13 4 2.50 14.30 9 -13 4 7.60 5.80 -9 13 -4 12.70 21.30 -9 13 -4 5.40 5.00 9 -13 3 150.88 33.90 9 -13 3 160.88 20.20 -9 13 -3 190.08 43.70 9 -13 2 -1.20 4.10 9 -13 2 0.50 14.90 -9 13 -2 4.20 5.00 -9 13 -2 -3.50 17.20 9 -13 1 26.20 20.60 -9 13 -1 99.09 12.80 -9 13 -1 85.49 28.40 9 -13 0 243.88 23.60 9 -13 0 220.68 43.60 -9 13 0 252.67 24.70 -9 13 0 224.08 38.90 9 -13 -1 83.19 11.20 9 -13 -1 79.89 29.30 -9 13 1 177.78 30.70 9 -13 -2 289.47 49.10 9 -13 -2 286.37 26.30 -9 13 2 299.07 27.90 -9 13 2 262.17 38.60 9 -13 -3 24.20 5.60 9 -13 -3 35.50 22.70 -9 13 3 28.50 7.90 -9 13 3 28.70 14.20 9 -13 -4 60.19 8.70 9 -13 -4 60.89 27.30 9 -13 -5 230.18 21.10 9 -13 -5 190.88 42.60 -9 13 5 211.58 29.50 -9 13 5 231.68 23.50 9 -13 -6 245.98 48.10 9 -13 -6 251.07 23.70 -9 13 6 279.37 32.80 -9 13 6 293.97 26.90 9 -13 -7 81.49 10.30 9 -13 -7 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434.06 61.09 -8 12 0 429.86 38.20 8 -12 -1 357.96 33.70 8 -12 -1 352.96 55.69 -8 12 1 410.56 51.19 -8 12 1 462.85 37.00 8 -12 -2 597.54 75.79 8 -12 -2 578.64 50.89 -8 12 2 721.23 67.39 -8 12 2 639.04 53.49 8 -12 -3 261.17 45.10 8 -12 -3 246.38 20.90 -8 12 3 171.08 21.20 8 -12 -4 172.78 38.80 -8 12 4 167.48 18.80 8 -12 -5 187.68 19.30 8 -12 -5 200.28 41.40 -8 12 5 234.78 22.40 -8 12 5 257.07 30.20 8 -12 -6 7.60 17.50 8 -12 -6 5.10 3.40 -8 12 6 9.80 4.70 -8 12 6 12.30 8.70 8 -12 -7 154.38 37.50 8 -12 -7 203.58 19.00 -8 12 7 193.08 20.30 -8 12 7 204.68 25.30 8 -12 -8 19.10 5.20 8 -12 -8 9.30 17.50 -8 12 8 10.60 5.20 -8 12 8 17.40 7.80 8 -12 -9 27.30 20.40 8 -12 -9 21.10 5.80 -8 12 9 27.50 7.00 -8 12 9 29.40 8.90 8 -12 -10 68.99 27.30 -8 12 10 64.09 10.80 8 -12 -11 63.29 9.90 8 -12 -11 62.39 26.00 -8 12 11 58.99 10.60 -8 12 11 64.59 10.80 8 -12 -12 114.89 15.80 -8 12 12 137.49 15.70 7 -11 9 176.18 26.60 7 -11 9 131.19 20.90 -7 11 -9 136.69 45.50 -7 11 -9 189.38 17.20 7 -11 8 30.90 14.40 7 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71.79 7 -11 -7 268.97 21.80 7 -11 -7 251.37 43.30 -7 11 7 184.68 25.00 -7 11 7 215.48 22.30 7 -11 -8 437.16 57.19 7 -11 -8 398.26 35.90 -7 11 8 425.56 40.10 -7 11 8 457.95 38.20 7 -11 -9 77.59 26.50 -7 11 9 45.40 8.20 -7 11 9 44.00 10.10 7 -11 -10 221.38 22.10 7 -11 -10 158.78 38.30 -7 11 10 244.68 23.50 -7 11 10 252.27 23.60 7 -11 -11 109.09 14.90 7 -11 -11 87.39 28.70 -7 11 11 122.29 15.10 -7 11 11 110.19 15.30 7 -11 -12 150.18 17.70 7 -11 -12 120.09 31.20 -7 11 12 105.59 14.00 -7 11 12 125.99 16.20 -7 11 13 89.49 14.40 6 -10 10 23.40 8.60 6 -10 10 20.50 11.50 -6 10 -10 8.60 24.70 6 -10 9 153.38 25.90 6 -10 9 146.19 21.10 -6 10 -9 121.29 41.40 -6 10 -9 191.18 17.20 6 -10 8 -6.40 11.80 6 -10 8 0.90 6.30 -6 10 -8 6.10 24.40 6 -10 7 90.59 21.20 6 -10 7 99.49 15.00 -6 10 -7 61.09 32.90 -6 10 -7 63.59 9.50 6 -10 6 141.09 26.30 6 -10 6 173.68 19.60 -6 10 -6 126.59 14.50 -6 10 -6 84.79 36.90 -6 10 -5 197.48 19.30 6 -10 4 379.26 34.90 -6 10 -4 336.67 58.79 6 -10 3 289.17 27.50 6 -10 3 280.97 39.90 -6 10 -3 232.48 48.20 -6 10 -3 266.17 25.40 6 -10 2 339.27 49.00 6 -10 2 343.17 34.30 -6 10 -2 496.95 60.89 -6 10 -2 440.36 35.20 -6 10 -1 255.67 24.10 -6 10 -1 232.68 41.90 6 -10 0 754.22 78.89 6 -10 0 632.44 55.39 -6 10 0 695.73 73.79 -6 10 0 730.73 57.59 6 -10 -1 680.73 51.89 6 -10 -1 647.74 73.39 -6 10 1 610.44 52.39 -6 10 1 562.14 63.49 6 -10 -2 193.88 37.20 6 -10 -2 193.98 18.30 6 -10 -3 452.45 39.20 6 -10 -3 507.55 62.09 -6 10 3 503.65 50.89 -6 10 3 496.85 41.50 6 -10 -4 137.59 30.70 -6 10 4 76.69 10.50 -6 10 4 69.89 16.40 6 -10 -5 1575.04 124.09 6 -10 -5 1638.34 145.59 -6 10 5 1667.43 126.59 -6 10 5 1586.44 132.19 6 -10 -6 95.19 26.30 -6 10 6 75.29 14.50 -6 10 6 89.49 11.40 6 -10 -7 280.67 43.70 6 -10 -7 273.57 25.60 -6 10 7 312.57 27.60 -6 10 7 317.77 30.50 6 -10 -8 437.66 56.19 -6 10 8 436.86 37.80 6 -10 -9 3.30 14.40 -6 10 9 46.90 8.30 -6 10 9 48.60 9.30 6 -10 -10 528.45 70.49 6 -10 -10 660.73 54.09 -6 10 10 674.63 54.59 -6 10 10 657.53 54.89 6 -10 -11 18.10 20.20 6 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231.68 37.60 -11 7 -2 188.88 20.50 -11 7 -2 169.68 45.40 11 -7 2 212.28 35.50 11 -7 2 262.57 24.50 -11 7 -3 173.38 18.70 -11 7 -3 117.29 41.20 11 -7 3 196.98 32.40 11 -7 3 226.28 23.80 -11 7 -4 62.99 33.20 -11 7 -4 60.69 9.40 11 -7 4 67.39 19.70 11 -7 4 61.79 12.30 -11 7 -5 142.19 15.30 -11 7 -5 82.39 36.70 11 -7 5 151.88 18.90 11 -7 5 153.18 27.70 -11 7 -6 59.29 8.40 -11 7 -6 51.09 31.40 11 -7 6 36.10 10.20 11 -7 6 55.09 16.90 -12 8 12 1.10 4.90 -12 8 12 -1.60 4.30 12 -8 -12 6.80 5.10 12 -8 -12 15.10 20.60 -12 8 11 43.90 10.70 -12 8 11 54.69 10.80 12 -8 -11 64.89 31.80 12 -8 -11 77.89 11.00 -12 8 10 277.77 33.90 -12 8 10 317.67 31.00 12 -8 -10 322.07 58.19 -12 8 9 99.99 16.70 -12 8 9 108.69 16.20 12 -8 -9 131.69 13.90 -12 8 8 252.07 26.90 -12 8 8 232.78 29.00 12 -8 -8 266.07 23.40 12 -8 -8 315.37 54.09 -12 8 7 40.10 12.60 -12 8 7 31.70 8.50 12 -8 -7 31.60 6.00 12 -8 -7 40.70 25.50 -12 8 6 444.16 41.30 -12 8 6 415.96 47.70 12 -8 -6 515.35 39.70 12 -8 -6 433.76 66.29 -12 8 5 129.69 22.50 12 -8 -5 63.49 9.40 12 -8 -5 94.59 29.90 -12 8 4 47.30 9.00 -12 8 4 37.30 15.90 12 -8 -4 25.10 21.80 12 -8 -4 37.30 6.90 -12 8 3 530.35 56.99 -12 8 3 445.96 42.00 12 -8 -3 520.65 65.59 12 -8 -3 478.05 40.90 -12 8 2 22.80 7.00 -12 8 2 28.70 17.40 12 -8 -2 8.70 17.20 -12 8 1 212.08 22.40 -12 8 1 198.88 39.20 12 -8 -1 307.17 43.30 -12 8 0 245.38 45.70 12 -8 0 200.28 36.20 12 -8 0 216.88 22.10 -12 8 -1 114.19 13.50 -12 8 -1 90.79 32.80 12 -8 1 102.09 13.60 12 -8 1 84.79 25.00 -12 8 -2 127.09 14.60 -12 8 -2 102.59 35.80 -12 8 -3 79.29 10.70 -12 8 -3 58.49 32.10 12 -8 3 49.50 11.10 12 -8 3 40.10 17.40 -12 8 -4 136.59 15.10 -12 8 -4 126.39 40.70 12 -8 4 147.99 27.10 12 -8 4 121.39 17.90 -12 8 -5 22.10 27.10 12 -8 5 10.40 6.60 -13 9 11 8.50 6.10 -13 9 11 11.80 5.70 13 -9 -11 0.90 3.90 -13 9 10 50.39 11.20 -13 9 10 48.00 10.50 13 -9 -10 50.49 8.60 13 -9 -10 42.50 26.00 -13 9 9 38.90 10.70 -13 9 9 41.90 10.00 13 -9 -9 55.79 8.20 13 -9 -9 57.29 28.40 -13 9 8 23.50 7.90 13 -9 -8 20.20 23.50 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290.37 52.99 14 -10 -6 295.17 26.20 -14 10 5 17.30 6.90 -14 10 5 6.00 10.60 14 -10 -5 25.90 23.20 14 -10 -5 25.40 6.00 -14 10 4 191.38 20.90 -14 10 4 176.48 31.70 14 -10 -4 190.78 19.10 14 -10 -4 178.78 40.00 -14 10 3 100.79 14.20 -14 10 3 141.89 28.60 -14 10 2 259.97 27.90 -14 10 2 253.87 43.20 14 -10 -2 326.27 47.40 14 -10 -2 345.47 28.50 -14 10 1 75.29 11.80 -14 10 1 78.69 25.30 14 -10 -1 88.39 12.30 14 -10 -1 96.49 26.10 -14 10 0 9.30 5.40 -14 10 0 3.50 15.70 14 -10 0 8.30 5.60 14 -10 0 26.80 17.50 -14 10 -1 174.08 40.20 14 -10 1 207.28 21.80 -15 11 5 335.07 40.20 15 -11 -5 266.17 25.60 -15 11 4 16.10 12.80 11 -17 1 501.65 41.90 -11 17 -1 436.26 60.79 11 -17 0 170.58 18.50 11 -17 0 180.78 38.70 -11 17 0 198.78 20.30 -11 17 0 150.58 33.10 11 -17 -1 328.27 32.20 11 -17 -1 325.07 53.89 -11 17 1 427.96 35.40 -11 17 1 397.56 49.20 11 -17 -2 391.86 33.90 11 -17 -2 368.76 59.79 -11 17 2 380.06 46.30 -11 17 2 379.36 35.00 11 -17 -3 120.09 35.00 11 -17 -3 114.49 12.90 -11 17 3 110.59 15.00 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270.67 35.20 9 -15 -5 456.85 67.19 9 -15 -5 472.55 40.60 -9 15 5 525.25 44.40 -9 15 5 455.15 49.20 9 -15 -6 138.39 14.80 -9 15 6 199.38 25.20 9 -15 -7 193.18 42.10 -9 15 7 132.99 16.60 9 -15 -8 265.37 50.69 9 -15 -8 261.17 23.80 -9 15 8 266.07 26.40 -9 15 8 255.17 28.40 9 -15 -9 554.44 47.80 9 -15 -9 601.04 77.59 -9 15 9 591.54 52.69 -9 15 9 610.74 51.19 9 -15 -10 2.90 3.70 -9 15 10 1.00 5.20 8 -14 8 8.30 8.30 8 -14 7 236.68 34.50 8 -14 7 201.78 25.30 -8 14 -7 219.08 20.60 -8 14 -7 171.78 48.10 8 -14 6 61.49 12.50 8 -14 6 74.49 20.90 -8 14 -6 53.59 9.20 -8 14 -6 31.40 27.30 8 -14 5 248.98 39.00 8 -14 5 245.58 26.60 -8 14 -5 263.17 24.10 -8 14 -5 233.78 52.19 8 -14 4 73.29 12.20 8 -14 4 63.59 22.10 -8 14 -4 77.69 31.80 8 -14 3 167.28 31.80 8 -14 3 159.98 17.20 -8 14 -3 124.39 16.10 -8 14 -3 116.59 35.30 8 -14 2 437.36 58.59 8 -14 2 497.05 41.60 -8 14 -2 427.56 63.49 -8 14 -2 484.85 41.80 8 -14 1 102.49 28.70 -8 14 -1 75.39 11.20 -8 14 -1 48.10 22.30 8 -14 0 787.22 63.39 8 -14 0 753.42 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294.07 38.90 -7 13 -7 269.47 24.40 -7 13 -7 166.78 55.39 7 -13 6 147.59 19.50 -7 13 -6 129.99 40.90 7 -13 5 19.80 16.40 7 -13 5 14.10 7.50 -7 13 -5 31.80 7.00 -7 13 -5 24.80 26.50 7 -13 4 539.25 63.29 7 -13 4 635.74 52.09 -7 13 -4 610.34 49.40 -7 13 -4 466.95 75.49 7 -13 3 51.89 20.90 7 -13 3 72.39 11.40 -7 13 -3 75.29 28.90 -7 13 -3 62.99 10.10 7 -13 2 321.27 28.40 7 -13 2 359.76 48.00 -7 13 -2 235.38 46.70 -7 13 -2 264.17 26.90 7 -13 1 528.85 71.89 -7 13 -1 665.53 53.39 7 -13 0 515.35 77.69 -7 13 0 629.84 67.39 -7 13 0 590.74 50.09 7 -13 -1 292.77 48.50 7 -13 -1 305.67 25.50 -7 13 1 236.08 37.80 -7 13 1 247.58 26.00 7 -13 -2 111.59 32.60 7 -13 -2 146.79 15.80 -7 13 2 155.18 28.10 -7 13 2 178.78 18.20 7 -13 -3 413.36 35.50 7 -13 -3 508.65 63.79 -7 13 3 404.46 37.40 -7 13 3 426.36 46.60 7 -13 -4 67.49 26.50 7 -13 -4 48.10 8.60 -7 13 4 49.90 8.80 7 -13 -5 245.38 46.20 7 -13 -5 270.47 22.80 -7 13 5 227.68 29.70 -7 13 5 214.98 22.70 7 -13 -6 196.78 18.40 7 -13 -6 156.98 36.70 -7 13 6 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21.40 6.60 3 27 0 29.20 7.50 -3 -27 -1 244.78 51.09 -3 -27 -1 286.57 27.90 3 27 1 297.67 29.30 3 27 1 286.07 27.30 -3 -27 -2 6.80 5.20 -3 -27 -2 15.00 19.70 3 27 2 2.10 4.30 3 27 2 7.30 4.60 -3 -27 -3 331.07 30.00 -3 -27 -3 260.07 51.59 3 27 3 263.27 25.50 3 27 3 252.67 27.10 -3 -27 -4 51.79 12.10 -3 -27 -4 41.70 24.10 3 27 4 66.49 11.10 3 27 4 70.19 10.30 -4 -26 1 7.10 18.20 -4 -26 1 1.40 4.40 4 26 -1 3.30 4.10 4 26 -1 0.90 4.10 -4 -26 0 68.69 11.30 -4 -26 0 43.80 25.00 4 26 0 33.70 8.30 4 26 0 36.20 7.60 -4 -26 -1 60.49 27.10 -4 -26 -1 78.19 13.00 4 26 1 79.59 10.40 4 26 1 56.39 10.60 -4 -26 -2 135.19 17.20 -4 -26 -2 101.09 32.40 4 26 2 76.29 12.00 4 26 2 76.99 11.50 -4 -26 -3 -0.20 6.80 -4 -26 -3 4.70 16.40 4 26 3 0.30 3.50 4 26 3 3.50 3.90 -4 -26 -4 6.90 7.70 -4 -26 -4 -2.50 14.70 4 26 4 8.50 4.90 4 26 4 9.40 4.20 -4 -26 -5 43.90 25.80 -4 -26 -5 58.79 14.40 4 26 5 34.90 7.30 5 25 -1 42.10 7.40 -5 -25 0 59.29 12.50 5 25 0 80.99 13.40 5 25 0 74.99 10.00 -5 -25 -1 100.19 32.90 -5 -25 -1 107.49 19.00 5 25 1 156.88 17.50 5 25 1 167.38 16.00 -5 -25 -2 32.90 21.40 -5 -25 -2 30.00 11.50 5 25 2 48.10 8.20 5 25 2 51.29 9.00 -5 -25 -3 77.49 27.20 -5 -25 -3 89.89 17.30 5 25 3 63.39 11.70 5 25 3 80.79 10.60 -5 -25 -4 15.30 10.40 -5 -25 -4 17.40 18.60 5 25 4 29.30 6.30 5 25 4 23.00 7.00 -5 -25 -5 26.00 18.80 -5 -25 -5 22.80 11.50 5 25 5 36.20 7.90 5 25 5 40.20 7.50 6 24 -1 473.75 40.10 -6 -24 0 429.06 61.59 -6 -24 0 439.06 42.60 6 24 0 384.76 36.30 6 24 0 403.36 34.60 -6 -24 -1 373.66 62.09 -6 -24 -1 427.66 45.50 6 24 1 484.45 39.00 6 24 1 457.95 40.50 -6 -24 -2 512.45 50.29 -6 -24 -2 454.45 64.99 6 24 2 508.45 42.00 6 24 2 485.45 43.30 -6 -24 -3 33.70 13.90 -6 -24 -3 34.00 20.80 6 24 3 46.30 8.90 6 24 3 45.90 7.90 -6 -24 -4 422.06 50.19 -6 -24 -4 373.66 60.19 6 24 4 508.05 42.10 6 24 4 494.85 41.90 -6 -24 -5 50.09 17.80 -6 -24 -5 64.49 23.00 6 24 5 34.40 7.10 6 24 5 25.70 7.00 -6 -24 -6 78.79 21.40 6 24 6 65.69 11.60 7 23 0 10.20 4.30 -7 -23 -1 123.19 24.30 -7 -23 -1 165.98 35.80 7 23 1 142.99 15.80 7 23 1 161.48 17.20 -7 -23 -2 18.80 17.60 7 23 2 23.10 6.60 7 23 2 30.40 6.90 -7 -23 -3 3.80 10.70 -7 -23 -3 4.00 13.90 7 23 3 8.60 4.40 7 23 3 7.70 4.70 -7 -23 -4 31.50 15.60 7 23 4 40.20 8.60 7 23 4 38.90 8.30 -7 -23 -5 -1.90 13.30 -7 -23 -5 10.40 12.50 7 23 5 8.60 4.90 7 23 5 8.90 5.20 -7 -23 -6 36.30 17.50 7 23 6 32.10 7.90 8 22 1 175.78 17.60 -8 -22 -2 23.30 17.00 -8 -22 -2 12.90 13.70 8 22 2 20.90 6.00 8 22 2 12.80 5.80 -8 -22 -3 18.40 14.70 -8 -22 -3 23.10 17.00 8 22 3 29.20 6.90 8 22 3 21.80 6.30 -8 -22 -4 32.20 17.50 8 22 4 30.90 7.40 -8 -22 -5 5.80 13.10 -8 -22 -5 1.10 13.30 8 22 5 8.40 5.30 -9 -21 -2 227.18 41.30 -9 -21 -2 232.58 45.00 9 21 2 318.77 29.40 -9 -21 -3 161.88 39.20 -9 -21 -3 153.48 37.50 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 1700 # start Validation Reply Form _vrf_PLAT211_eztlite377s_a ; PROBLEM: ADP of Atom O16 is N.P.D. or (nearly) 2D ... Please Check RESPONSE: Apex site atom, experiences significant distortion ; _vrf_PLAT213_eztlite377s_a ; PROBLEM: Atom O1 has ADP max/min Ratio ..... 4.0 prolat RESPONSE: See PLAT211 response ; _vrf_PLAT971_eztlite377s_a ; PROBLEM: Check Calcd Residual Density 1.29A From Cl02 3.55 eA-3 RESPONSE: Crystallographic ripple caused by heavy atoms ; _vrf_PLAT972_eztlite377s_a ; PROBLEM: Check Calcd Residual Density 0.78A From Pb01 -3.70 eA-3 RESPONSE: See PLAT971 response ; _vrf_PLAT973_eztlite377s_a ; PROBLEM: Check Calcd Positive Resid. Density on Pb04 1.87 eA-3 RESPONSE: See PLAT971 response ; _vrf_PLAT975_eztlite377s_a ; PROBLEM: Check Calcd Resid. Dens. 1.03A From O4 1.72 eA-3 RESPONSE: See PLAT971 response ; # end Validation Reply Form