data_FERRO-FERRI-HORNBLENDE-1260 _publ_contact_author ; Roberta Oberti ; _publ_contact_author_email ; oberti@crystal.unipv.it ; loop_ _publ_author_name _publ_author_address 'Oberti R.' 'CNR-IGG, U.O.S. Pavia, Pavia, Italy' 'Boiocchi M.' 'Centro Grandi Strumenti, University of Pavia, Pavia, Italy' 'Hawthorne F.C.' 'Dep. Geological Sciences, University of Manitoba, Winnipeg, Canada' 'Ball N.A.' 'Dep. Geological Sciences, University of Manitoba, Winnipeg, Canada' 'Pagano R.' 'Casella Postale 37, Cinisello (Mi), Italy' 'Pagano A.' 'Casella Postale 37, Cinisello (Mi), Italy' _publ_section_title ; ? ; _audit_creation_method 'manually entered' _chemical_name_systematic ; ? ; _chemical_name_mineral ; FERRO-FERRI-HORNBLENDE ; _chemical_melting_point ? _chemical_formula_moiety ? _chemical_compound_source ; Traversella Mine, val Chiusella, Ivrea, Piemonte, Italy. ; _chemical_formula_analytical ; Al0.86 Ca1.93 Cl0.12 F0.01 Fe2+3.20 Fe3+0.45 H1.87 K0.13 Mg1.16 Mn0.06 Na0.17 O23.87 Si7.26 Ti0.01 ; _chemical_formula_sum 'Al0.80 Ca1.88 Fe3.70 H1.80 Mg1.34 Na0.39 O24 Si7.2' _chemical_formula_weight 932.89 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' 'O2-' 'O2-' 0.0080 0.0060 'Hovesteydt, 1982' 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.082 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Al3+' 'Al3+' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si4+' 'Si4+' 0.0820 0.0710 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg2+' 'Mg2+' 0.0490 0.0360 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe2+' 'Fe2+' 0.3460 0.8450 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca2+' 'Ca2+' 0.2260 0.3060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Na+' 'Na+' 0.0360 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/m' _symmetry_space_group_name_Hall '-C 2y' _symmetry_Int_Tables_number 12 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' '-x, -y, -z' '-x, y, -z' '-x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, -z' _cell_length_a 9.9307(5) _cell_length_b 18.2232(10) _cell_length_c 5.3190(3) _cell_angle_alpha 90 _cell_angle_beta 104.857(1) _cell_angle_gamma 90 _cell_volume 930.40(9) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 4484 _cell_measurement_theta_min 2 _cell_measurement_theta_max 35 _exptl_crystal_description 'PLATY PRISM' _exptl_crystal_colour 'DARK GREENISH' _exptl_crystal_density_diffrn 3.33 _exptl_crystal_F_000 918.10 _exptl_crystal_size_max 0.21 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.06 _exptl_absorpt_coefficient_mu 4.04 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.804 _exptl_absorpt_correction_T_max 0.957 _exptl_absorpt_process_details 'Sadabs (Sheldrick, 1996)' _diffrn_radiation_probe 'x-ray' _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker-Axs Smart-Apex CCD' _diffrn_measurement_method 'omega scan' _diffrn_detector_area_resol_mean 8.333 _diffrn_standards_decay_% 0 _diffrn_reflns_number 10733 _diffrn_reflns_av_R_equivalents 0.016 _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 -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min 2 _diffrn_reflns_theta_max 35 _diffrn_measured_fraction_theta_max 0.996 _reflns_number_total 2110 _reflns_number_gt 1840 _reflns_threshold_expression 'I > 3\s(I)' _computing_data_collection 'SMART (Bruker-Axs Inc)' _computing_cell_refinement 'SAINT (Bruker-Axs Inc)' _computing_data_reduction 'SAINT (Bruker-Axs Inc)' _computing_structure_refinement 'ORFLS (Busing et al., 1962), modified' _refine_special_details ; Refinement of F against reflections with F > 3sigma(F). The threshold expression (_gt) of F > 3sigma(F) corresponds to the cutoff used to discriminate between observed and unobserved reflections for refinement. The use of unitary weigth produces unusual values for the calculated weighted wR-factor (similar to R). ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme UNIT _refine_ls_extinction_method NONE _refine_ls_number_reflns 1840 _refine_ls_number_parameters 120 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0297 _refine_ls_R_factor_gt 0.0253 _refine_ls_wR_factor_ref 0.0243 _refine_ls_wR_factor_gt 0.0219 _refine_ls_restrained_S_all 1.62 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 O1A O 0.11015(12) 0.08865(6) 0.21398(21) 0.0118(3) Uani 0.16(10) 1 d . . P . . O1B O2- 0.11015(12) 0.08865(6) 0.21398(21) 0.0118(3) Uani 0.84(10) 1 d . . P . . O2A O 0.12079(9) 0.17450(3) 0.72604(33) 0.0119(3) Uani 0.27(10) 1 d . . P . . O2B O2- 0.12079(9) 0.17450(3) 0.72604(33) 0.0119(3) Uani 0.73(10) 1 d . . P . . O3A O 0.11225(19) 0.0000 0.71347(33) 0.0134(4) Uani 0.29(7) 2 d S T P . . O3B O2- 0.11225(19) 0.0000 0.71347(33) 0.0134(4) Uani 0.71(7) 2 d S T P . . O4A O 0.36742(13) 0.24700(7) 0.79182(23) 0.0140(3) Uani 0.28(10) 1 d . . P . . O4B O2- 0.36742(13) 0.24700(7) 0.79182(23) 0.0140(3) Uani 0.72(10) 1 d . . P . . O5A O 0.34602(12) 0.13469(7) 0.09832(23) 0.0143(3) Uani 0.31(10) 1 d . . P . . O5B O2- 0.34602(12) 0.13469(7) 0.09832(23) 0.0143(3) Uani 0.69(10) 1 d . . P . . O6A O 0.34243(12) 0.11921(7) 0.59039(23) 0.0135(3) Uani 0.19(10) 1 d . . P . . O6B O2- 0.34243(12) 0.11921(7) 0.59039(23) 0.0135(3) Uani 0.81(10) 1 d . . P . . O7A O 0.33333(19) 0.0000 0.29115(36) 0.0159(5) Uani 0.39(8) 2 d S T P . . O7B O2- 0.33333(19) 0.0000 0.29115(36) 0.0159(5) Uani 0.61(8) 2 d S T P . . T1A Al 0.27963(4) 0.08455(2) 0.29672(8) 0.0085(1) Uani 0.11(9) 1 d . . P . . T1B Si 0.27963(4) 0.08455(2) 0.29672(8) 0.0085(1) Uani 0.45(9) 1 d . . P . . T1C Al3+ 0.27963(4) 0.08455(2) 0.29672(8) 0.0085(1) Uani 0.09(9) 1 d . . P . . T1D Si4+ 0.27963(4) 0.08455(2) 0.29672(8) 0.0085(1) Uani 0.35(9) 1 d . . P . . T2A Si 0.28950(4) 0.17120(2) 0.80539(8) 0.0091(1) Uani 0.59(8) 1 d . . P . . T2B Si4+ 0.28950(4) 0.17120(2) 0.80539(8) 0.0091(1) Uani 0.41(8) 1 d . . P . . M1A Mg2+ 0.0000 0.08961(2) 0.5000 0.0098(1) Uani 0.249(3) 2 d S T P . . M1B Fe2+ 0.0000 0.08961(2) 0.5000 0.0098(1) Uani 0.751(3) 2 d S T P . . M2A Mg2+ 0.0000 0.17880(2) 0.0000 0.0093(1) Uani 0.299(3) 2 d S T P . . M2B Fe2+ 0.0000 0.17880(2) 0.0000 0.0093(1) Uani 0.701(3) 2 d S T P . . M3A Mg2+ 0.0000 0.0000 0.0000 0.0098(1) Uani 0.240(2) 4 d S T P . . M3B Fe2+ 0.0000 0.0000 0.0000 0.0098(1) Uani 0.760(2) 4 d S T P . . M4A Na+ 0.0000 0.27907(13) 0.5000 0.0135(2) Uani 0.062(30) 2 d S T P . . M4B Ca2+ 0.0000 0.27907(13) 0.5000 0.0135(3) Uani 0.938(30) 2 d S T P . . A Na+ 0.0000 0.5000 0.0000 0.008(2) Uiso 0.089(3) 4 d S . P . . AM Na+ 0.0271(28) 0.5000 0.0679(57) 0.024(4) Uiso 0.055(3) 2 d S . P . . A2 Na+ 0.0000 0.4682(17) 0.0000 0.013(5) Uiso 0.034(3) 2 d S . P . . M42 Fe2+ 0.0000 0.2594(42) 0.5000 0.013 Uiso 0.018(8) 2 d S . P . . H H 0.184(4) 0.0000 0.749(8) 0.013 Uiso 0.9 2 d S . P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O1A 0.0113(4) 0.0133(5) 0.0109(4) -0.0023(4) 0.0029(4) -0.0006(4) O1B 0.0113(4) 0.0133(5) 0.0109(4) -0.0023(4) 0.0029(4) -0.0006(4) O2A 0.0106(4) 0.0135(5) 0.0114(4) -0.0006(4) 0.0024(4) 0.0010(4) O2B 0.0106(4) 0.0135(5) 0.0114(4) -0.0006(4) 0.0024(4) 0.0010(4) O3A 0.0181(7) 0.0116(7) 0.0112(7) 0.0000 0.0049(6) 0.0000 O3B 0.0181(7) 0.0116(7) 0.0112(7) 0.0000 0.0049(6) 0.0000 O4A 0.0166(5) 0.0125(5) 0.0139(5) -0.0035(4) 0.0054(4) -0.0010(4) O4B 0.0166(5) 0.0125(5) 0.0139(5) -0.0035(4) 0.0054(4) -0.0010(4) O5A 0.0126(5) 0.0182(5) 0.0122(5) 0.0005(4) 0.0032(4) 0.0043(4) O5B 0.0126(5) 0.0182(5) 0.0122(5) 0.0005(4) 0.0032(4) 0.0043(4) O6A 0.0130(5) 0.0148(5) 0.0129(5) 0.0004(4) 0.0036(4) -0.0028(4) O6B 0.0130(5) 0.0148(5) 0.0129(5) 0.0004(4) 0.0036(4) -0.0028(4) O7A 0.0160(7) 0.0108(7) 0.0209(8) 0.0000 0.0046(6) 0.0000 O7B 0.0160(7) 0.0108(7) 0.0209(8) 0.0000 0.0046(6) 0.0000 T1A 0.0093(1) 0.0081(2) 0.0080(2) -0.0006(1) 0.0022(1) -0.0001(1) T1B 0.0093(1) 0.0081(2) 0.0080(2) -0.0006(1) 0.0022(1) -0.0001(1) T1C 0.0093(1) 0.0081(2) 0.0080(2) -0.0006(1) 0.0022(1) -0.0001(1) T1D 0.0093(1) 0.0081(2) 0.0080(2) -0.0006(1) 0.0022(1) -0.0001(1) T2A 0.0096(1) 0.0096(2) 0.0085(2) -0.0009(1) 0.0030(1) 0.0002(1) T2B 0.0096(1) 0.0096(2) 0.0085(2) -0.0009(1) 0.0030(1) 0.0002(1) M1A 0.0118(1) 0.0094(2) 0.0087(1) 0.0000 0.0034(1) 0.0000 M1B 0.0118(1) 0.0094(2) 0.0087(1) 0.0000 0.0034(1) 0.0000 M2A 0.0101(2) 0.0084(2) 0.0096(2) 0.0000 0.0031(1) 0.0000 M2B 0.0101(2) 0.0084(2) 0.0096(2) 0.0000 0.0031(1) 0.0000 M3A 0.0117(2) 0.0082(2) 0.0092(2) 0.0000 0.0025(2) 0.0000 M3B 0.0117(2) 0.0082(2) 0.0092(2) 0.0000 0.0025(2) 0.0000 M4A 0.0157(3) 0.0111(7) 0.0164(3) 0.0000 0.0088(2) 0.0000 M4B 0.0157(3) 0.0111(7) 0.0164(3) 0.0000 0.0088(2) 0.0000 _geom_special_details ; Geometry data (distances and angles) are reported only for T, M and A sites flagged by the A suffix. All esds are estimated using the full covariance matrix. ; 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 T1A O1A 1.629(1) . ? T1A O7A 1.633(1) . ? T1A O6A 1.652(1) . ? T1A O5A 1.655(1) . ? T2A O4A 1.594(1) . ? T2A O2A 1.621(1) . ? T2A O5A 1.654(1) 1_556 ? T2A O6A 1.670(1) . ? M1A O1A 2.089(1) . ? M1A O1A 2.089(1) 6_556 ? M1A O2A 2.130(1) 6_556 ? M1A O2A 2.130(1) . ? M1A O3A 2.133(1) . ? M1A O3A 2.133(1) 5_556 ? M2A O4A 2.010(1) 7_556 ? M2A O4A 2.010(1) 4_454 ? M2A O2A 2.113(1) 6_556 ? M2A O2A 2.113(1) 1_554 ? M2A O1A 2.134(1) 6 ? M2A O1A 2.134(1) . ? M3A O3A 2.106(2) 5_556 ? M3A O3A 2.106(2) 1_554 ? M3A O1A 2.113(1) . ? M3A O1A 2.113(1) 5 ? M3A O1A 2.113(1) 2 ? M3A O1A 2.113(1) 6 ? M4A O4A 2.327(1) 7_556 ? M4A O4A 2.327(1) 4_455 ? M4A O2A 2.403(2) . ? M4A O2A 2.403(2) 6_556 ? M4A O6A 2.550(2) 7_556 ? M4A O6A 2.550(2) 4_455 ? M4A O5A 2.774(2) 7_556 ? M4A O5A 2.774(2) 4_455 ? A O7A 2.540(2) 3_455 ? A O7A 2.540(2) 7 ? A O5A 3.008(1) 8 ? A O5A 3.008(1) 4_455 ? A O5A 3.008(1) 3_455 ? A O5A 3.008(1) 7 ? A O6A 3.188(1) 4_454 ? A O6A 3.188(1) 8_556 ? A O6A 3.188(1) 3_454 ? A O6A 3.188(1) 7_556 ? AM O7A 2.507(23) 3_455 ? AM O7A 2.631(24) 7 ? AM O6A 2.914(21) 8_556 ? AM O6A 2.914(21) 7_556 ? AM O5A 2.994(13) 8 ? AM O5A 2.994(13) 7 ? AM O5A 3.072(15) 4_455 ? AM O5A 3.072(15) 3_455 ? AM O7A 3.335(30) 7_556 ? A2 O5A 2.556(23) 4_455 ? A2 O5A 2.556(23) 7 ? A2 O7A 2.606(7) 7 ? A2 O7A 2.606(7) 3_455 ? A2 O6A 2.825(18) 4_454 ? A2 O6A 2.825(18) 7_556 ? M42 O2A 2.13(6) . ? M42 O2A 2.13(6) 6_556 ? M42 O4A 2.28(1) 4_455 ? M42 O4A 2.28(1) 7_556 ? M42 O6A 2.82(6) 7_556 ? M42 O6A 2.82(6) 4_455 ? M42 O5A 2.99(5) 7_556 ? M42 O5A 2.99(5) 4_455 ? O3A H 0.69(4) . ? 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 O1A T1A O7A 111.0(1) . . ? O1A T1A O6A 110.6(1) . . ? O7A T1A O6A 109.4(1) . . ? O1A T1A O5A 110.8(1) . . ? O7A T1A O5A 108.9(1) . . ? O6A T1A O5A 106.0(1) . . ? O4A T2A O2A 115.9(1) . . ? O4A T2A O5A 109.9(1) . 1_556 ? O2A T2A O5A 109.8(1) . 1_556 ? O4A T2A O6A 102.6(1) . . ? O2A T2A O6A 109.2(1) . . ? O5A T2A O6A 109.0(1) 1_556 . ? O1A M1A O1A 179.0(1) . 6_556 ? O1A M1A O2A 85.4(1) . 6_556 ? O1A M1A O2A 95.3(1) 6_556 6_556 ? O1A M1A O2A 95.3(1) . . ? O1A M1A O2A 85.4(1) 6_556 . ? O2A M1A O2A 86.9(1) 6_556 . ? O1A M1A O3A 94.7(1) . . ? O1A M1A O3A 84.6(1) 6_556 . ? O2A M1A O3A 176.6(1) 6_556 . ? O2A M1A O3A 96.5(1) . . ? O1A M1A O3A 84.6(1) . 5_556 ? O1A M1A O3A 94.7(1) 6_556 5_556 ? O2A M1A O3A 96.5(1) 6_556 5_556 ? O2A M1A O3A 176.6(1) . 5_556 ? O3A M1A O3A 80.1(1) . 5_556 ? O4A M2A O4A 95.5(1) 7_556 4_454 ? O4A M2A O2A 93.0(1) 7_556 6_556 ? O4A M2A O2A 89.85(4) 4_454 6_556 ? O4A M2A O2A 89.85(4) 7_556 1_554 ? O4A M2A O2A 93.0(1) 4_454 1_554 ? O2A M2A O2A 175.75(3) 6_556 1_554 ? O4A M2A O1A 170.3(1) 7_556 6 ? O4A M2A O1A 92.9(1) 4_454 6 ? O2A M2A O1A 92.0(1) 6_556 6 ? O2A M2A O1A 84.7(1) 1_554 6 ? O4A M2A O1A 92.9(1) 7_556 . ? O4A M2A O1A 170.3(1) 4_454 . ? O2A M2A O1A 84.7(1) 6_556 . ? O2A M2A O1A 92.0(1) 1_554 . ? O1A M2A O1A 79.3(1) 6 . ? O3A M3A O3A 180.0 5_556 1_554 ? O3A M3A O1A 84.7(1) 5_556 . ? O3A M3A O1A 95.3(1) 1_554 . ? O3A M3A O1A 95.3(1) 5_556 5 ? O3A M3A O1A 84.7(1) 1_554 5 ? O1A M3A O1A 180.0 . 5 ? O3A M3A O1A 84.7(1) 5_556 2 ? O3A M3A O1A 95.3(1) 1_554 2 ? O1A M3A O1A 99.75(4) . 2 ? O1A M3A O1A 80.25(4) 5 2 ? O3A M3A O1A 95.3(1) 5_556 6 ? O3A M3A O1A 84.7(1) 1_554 6 ? O1A M3A O1A 80.25(4) . 6 ? O1A M3A O1A 99.75(4) 5 6 ? O1A M3A O1A 180.0 2 6 ? O4A M4A O4A 156.4(1) 7_556 4_455 ? O4A M4A O2A 82.9(1) 7_556 . ? O4A M4A O2A 78.4(1) 4_455 . ? O4A M4A O2A 78.4(1) 7_556 6_556 ? O4A M4A O2A 82.9(1) 4_455 6_556 ? O2A M4A O2A 75.1(1) . 6_556 ? O4A M4A O6A 62.8(1) 7_556 7_556 ? O4A M4A O6A 138.9(1) 4_455 7_556 ? O2A M4A O6A 114.8(1) . 7_556 ? O2A M4A O6A 137.2(1) 6_556 7_556 ? O4A M4A O6A 138.9(1) 7_556 4_455 ? O4A M4A O6A 62.8(1) 4_455 4_455 ? O2A M4A O6A 137.2(1) . 4_455 ? O2A M4A O6A 114.8(1) 6_556 4_455 ? O6A M4A O6A 86.7(1) 7_556 4_455 ? O4A M4A O5A 109.6(1) 7_556 7_556 ? O4A M4A O5A 84.05(4) 4_455 7_556 ? O2A M4A O5A 87.6(1) . 7_556 ? O2A M4A O5A 160.1(1) 6_556 7_556 ? O6A M4A O5A 59.3(1) 7_556 7_556 ? O6A M4A O5A 71.7(1) 4_455 7_556 ? O4A M4A O5A 84.05(4) 7_556 4_455 ? O4A M4A O5A 109.6(1) 4_455 4_455 ? O2A M4A O5A 160.1(1) . 4_455 ? O2A M4A O5A 87.6(1) 6_556 4_455 ? O6A M4A O5A 71.7(1) 7_556 4_455 ? O6A M4A O5A 59.3(1) 4_455 4_455 ? O5A M4A O5A 111.0(1) 7_556 4_455 ? O7A A O7A 180.0 3_455 7 ? O7A A O5A 123.1(1) 3_455 8 ? O7A A O5A 56.9(1) 7 8 ? O7A A O5A 56.9(1) 3_455 4_455 ? O7A A O5A 123.1(1) 7 4_455 ? O5A A O5A 180.0 8 4_455 ? O7A A O5A 56.9(1) 3_455 3_455 ? O7A A O5A 123.1(1) 7 3_455 ? O5A A O5A 70.6(1) 8 3_455 ? O5A A O5A 109.4(1) 4_455 3_455 ? O7A A O5A 123.1(1) 3_455 7 ? O7A A O5A 56.9(1) 7 7 ? O5A A O5A 109.4(1) 8 7 ? O5A A O5A 70.6(1) 4_455 7 ? O5A A O5A 180.0 3_455 7 ? O7A A O6A 97.7(1) 3_455 4_454 ? O7A A O6A 82.3(1) 7 4_454 ? O5A A O6A 128.3(1) 8 4_454 ? O5A A O6A 51.7(1) 4_455 4_454 ? O5A A O6A 119.5(1) 3_455 4_454 ? O5A A O6A 60.5(1) 7 4_454 ? O7A A O6A 82.3(1) 3_455 8_556 ? O7A A O6A 97.7(1) 7 8_556 ? O5A A O6A 51.7(1) 8 8_556 ? O5A A O6A 128.3(1) 4_455 8_556 ? O5A A O6A 60.5(1) 3_455 8_556 ? O5A A O6A 119.5(1) 7 8_556 ? O6A A O6A 180.0 4_454 8_556 ? O7A A O6A 97.7(1) 3_455 3_454 ? O7A A O6A 82.3(1) 7 3_454 ? O5A A O6A 60.5(1) 8 3_454 ? O5A A O6A 119.5(1) 4_455 3_454 ? O5A A O6A 51.7(1) 3_455 3_454 ? O5A A O6A 128.3(1) 7 3_454 ? O6A A O6A 85.9(1) 4_454 3_454 ? O6A A O6A 94.1(1) 8_556 3_454 ? O7A A O6A 82.3(1) 3_455 7_556 ? O7A A O6A 97.7(1) 7 7_556 ? O5A A O6A 119.5(1) 8 7_556 ? O5A A O6A 60.5(1) 4_455 7_556 ? O5A A O6A 128.3(1) 3_455 7_556 ? O5A A O6A 51.7(1) 7 7_556 ? O6A A O6A 94.1(1) 4_454 7_556 ? O6A A O6A 85.9(1) 8_556 7_556 ? O6A A O6A 180.0 3_454 7_556 ? O7A AM O7A 162.7(14) 3_455 7 ? O7A AM O6A 88.7(7) 3_455 8_556 ? O7A AM O6A 102.7(6) 7 8_556 ? O7A AM O6A 88.7(7) 3_455 7_556 ? O7A AM O6A 102.7(6) 7 7_556 ? O6A AM O6A 96.4(9) 8_556 7_556 ? O7A AM O5A 124.9(4) 3_455 8 ? O7A AM O5A 56.4(2) 7 8 ? O6A AM O5A 54.5(2) 8_556 8 ? O6A AM O5A 129.9(10) 7_556 8 ? O7A AM O5A 124.9(4) 3_455 7 ? O7A AM O5A 56.4(4) 7 7 ? O6A AM O5A 129.9(10) 8_556 7 ? O6A AM O5A 54.5(2) 7_556 7 ? O5A AM O5A 110.1(7) 8 7 ? O7A AM O5A 56.2(4) 3_455 4_455 ? O7A AM O5A 117.6(6) 7 4_455 ? O6A AM O5A 137.3(9) 8_556 4_455 ? O6A AM O5A 62.9(2) 7_556 4_455 ? O5A AM O5A 165.2(12) 8 4_455 ? O5A AM O5A 69.9(1) 7 4_455 ? O7A AM O5A 56.2(4) 3_455 3_455 ? O7A AM O5A 117.6(6) 7 3_455 ? O6A AM O5A 62.9(1) 8_556 3_455 ? O6A AM O5A 137.3(9) 7_556 3_455 ? O5A AM O5A 69.9(2) 8 3_455 ? O5A AM O5A 165.2(12) 7 3_455 ? O5A AM O5A 106.1(7) 4_455 3_455 ? O7A AM O7A 71.6(7) 3_455 7_556 ? O7A AM O7A 125.7(10) 7 7_556 ? O6A AM O7A 50.3(5) 8_556 7_556 ? O6A AM O7A 50.3(5) 7_556 7_556 ? O5A AM O7A 101.9(7) 8 7_556 ? O5A AM O7A 101.9(7) 7 7_556 ? O5A AM O7A 92.4(6) 4_455 7_556 ? O5A AM O7A 92.4(6) 3_455 7_556 ? O5A A2 O5A 85.7(10) 4_455 7 ? O5A A2 O7A 142.1(10) 4_455 7 ? O5A A2 O7A 62.4(2) 7 7 ? O5A A2 O7A 62.4(2) 4_455 3_455 ? O5A A2 O7A 142.1(10) 7 3_455 ? O7A A2 O7A 154.3(14) 7 3_455 ? O5A A2 O6A 60.2(5) 4_455 4_454 ? O5A A2 O6A 70.8(6) 7 4_454 ? O7A A2 O6A 88.7(3) 7 4_454 ? O7A A2 O6A 105.9(3) 3_455 4_454 ? O5A A2 O6A 70.8(6) 4_455 7_556 ? O5A A2 O6A 60.2(5) 7 7_556 ? O7A A2 O6A 105.9(3) 7 7_556 ? O7A A2 O6A 88.7(3) 3_455 7_556 ? O6A A2 O6A 111.4(10) 4_454 7_556 ? O2A M42 O2A 86.9(29) . 6_556 ? O2A M42 O4A 85.3(14) . 4_455 ? O2A M42 O4A 90.4(15) 6_556 4_455 ? O2A M42 O4A 90.4(15) . 7_556 ? O2A M42 O4A 85.3(14) 6_556 7_556 ? O4A M42 O4A 174.2(39) 4_455 7_556 ? O2A M42 O6A 114.1(4) . 7_556 ? O2A M42 O6A 136.9(4) 6_556 7_556 ? O4A M42 O6A 126.7(26) 4_455 7_556 ? O4A M42 O6A 58.8(10) 7_556 7_556 ? O2A M42 O6A 136.9(4) . 4_455 ? O2A M42 O6A 114.1(4) 6_556 4_455 ? O4A M42 O6A 58.8(10) 4_455 4_455 ? O4A M42 O6A 126.7(26) 7_556 4_455 ? O6A M42 O6A 76.7(20) 7_556 4_455 ? O2A M42 O5A 87.4(3) . 7_556 ? O2A M42 O5A 169.2(15) 6_556 7_556 ? O4A M42 O5A 79.9(10) 4_455 7_556 ? O4A M42 O5A 103.9(14) 7_556 7_556 ? O6A M42 O5A 54.0(11) 7_556 7_556 ? O6A M42 O5A 64.9(14) 4_455 7_556 ? O2A M42 O5A 169.2(15) . 4_455 ? O2A M42 O5A 87.4(3) 6_556 4_455 ? O4A M42 O5A 103.9(14) 4_455 4_455 ? O4A M42 O5A 79.9(10) 7_556 4_455 ? O6A M42 O5A 64.9(14) 7_556 4_455 ? O6A M42 O5A 54.0(11) 4_455 4_455 ? O5A M42 O5A 99.6(23) 7_556 4_455 ? T1A O5A T2A 136.7(1) . 1_554 ? T1A O6A T2A 139.1(1) . . ? T1A O7A T1A 141.3(1) 2 . ? O6A O7A O6A 108.3(1) . 2 ? O5A O6A O5A 167.8(1) 1_556 . ? _refine_diff_density_max 1.87 _refine_diff_density_min -0.72 _refine_diff_density_rms 0.156 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 0 2 0 207.5 3.6 0 4 0 880.5 10.0 0 6 0 7.9 1.0 0 8 0 9.8 0.6 0 10 0 1669.1 18.1 0 12 0 5262.1 39.3 0 14 0 48.5 2.7 0 16 0 2.2 0.5 0 18 0 19.3 1.1 0 20 0 364.6 5.3 0 22 0 1149.2 17.4 0 24 0 805.2 14.1 0 26 0 92.8 6.3 0 28 0 25.5 3.5 -1 1 0 1334.2 11.6 1 3 0 35.3 0.7 1 5 0 -0.3 0.2 1 7 0 1.0 0.2 1 9 0 367.6 2.8 1 11 0 3977.0 21.3 1 13 0 6.9 0.5 1 15 0 24.3 0.8 1 17 0 3.4 0.4 1 19 0 20.2 0.9 1 21 0 283.4 5.8 1 23 0 109.2 3.1 1 25 0 -0.2 0.8 1 27 0 7.1 1.0 -1 29 0 7.2 2.3 2 0 0 240.2 3.2 -2 2 0 77.0 1.0 2 4 0 997.7 8.0 2 6 0 0.9 0.3 2 8 0 0.0 0.2 2 10 0 519.5 5.5 2 12 0 10.1 0.5 2 14 0 26.6 0.8 2 16 0 2.5 0.3 2 18 0 64.6 2.2 2 20 0 29.3 1.2 2 22 0 228.8 4.0 2 24 0 101.1 3.7 -2 26 0 -1.1 0.9 -2 28 0 42.8 5.0 3 1 0 3996.7 29.4 -3 3 0 727.1 6.2 3 5 0 414.5 3.1 3 7 0 546.4 4.6 3 9 0 28.8 0.8 3 11 0 1844.8 10.0 3 13 0 11.1 0.6 3 15 0 4.8 0.8 3 17 0 79.8 1.8 3 19 0 166.7 2.6 -3 21 0 72.3 2.5 -3 23 0 294.9 5.3 -3 25 0 53.9 2.2 -3 27 0 45.5 5.3 4 0 0 642.9 5.8 4 2 0 0.8 0.1 4 4 0 0.5 0.2 4 6 0 1.9 0.2 4 8 0 1268.7 7.6 4 10 0 722.6 5.2 4 12 0 625.1 5.0 4 14 0 17.0 0.7 -4 16 0 377.0 5.3 -4 18 0 27.8 1.5 -4 20 0 174.4 3.3 -4 22 0 425.4 7.3 -4 24 0 16.1 1.9 -4 26 0 3.1 0.8 -4 28 0 0.4 1.8 5 1 0 266.6 2.3 5 3 0 343.4 2.6 5 5 0 7.3 0.6 5 7 0 89.3 1.1 5 9 0 2.3 0.3 5 11 0 20.0 0.8 5 13 0 187.8 2.4 5 15 0 97.6 2.0 5 17 0 2.6 0.4 5 19 0 -0.1 0.2 -5 21 0 268.1 5.1 -5 23 0 101.4 3.8 -5 25 0 3.1 1.0 -5 27 0 1.1 2.0 6 0 0 3000.5 23.2 6 2 0 86.0 2.0 6 4 0 3.4 0.9 6 6 0 107.5 1.7 6 8 0 164.9 2.0 6 10 0 173.0 2.1 6 12 0 6.7 0.5 6 14 0 2.7 0.6 6 16 0 42.0 1.5 6 18 0 95.8 2.5 -6 20 0 15.1 1.3 -6 22 0 198.9 4.5 -6 24 0 2.8 1.2 -6 26 0 5.0 2.5 7 1 0 1172.2 12.3 7 3 0 201.2 2.4 7 5 0 1.0 0.2 7 7 0 57.7 1.3 7 9 0 776.6 6.3 7 11 0 3573.4 28.7 7 13 0 149.4 3.1 7 15 0 269.1 4.4 7 17 0 2.3 1.0 -7 19 0 101.8 3.1 -7 21 0 21.5 1.6 -7 23 0 418.0 15.9 -7 25 0 10.0 3.0 8 0 0 2207.3 18.3 8 2 0 34.0 0.8 8 4 0 28.3 2.2 8 6 0 56.3 1.2 8 8 0 3.5 1.5 8 10 0 263.5 3.0 8 12 0 353.0 8.1 8 14 0 -0.1 0.5 8 16 0 3.6 0.6 8 18 0 1.3 0.4 -8 20 0 4.1 0.8 -8 22 0 300.0 8.3 -8 24 0 16.5 3.7 9 1 0 227.4 4.2 9 3 0 5.5 0.6 9 5 0 0.2 0.2 9 7 0 301.8 5.1 9 9 0 35.6 1.2 9 11 0 243.5 3.3 9 13 0 51.7 1.6 9 15 0 70.0 2.5 9 17 0 62.9 2.1 -9 19 0 0.9 1.3 -9 21 0 158.5 5.9 -9 23 0 17.8 3.6 10 0 0 1366.5 15.0 10 2 0 12.4 0.7 10 4 0 0.2 0.2 10 6 0 29.3 1.2 10 8 0 347.9 5.3 10 10 0 260.6 3.5 10 12 0 690.6 8.1 10 14 0 8.4 1.0 10 16 0 96.1 2.7 -10 18 0 61.7 2.4 -10 20 0 60.4 5.9 -10 22 0 287.9 9.3 11 1 0 493.7 5.4 11 3 0 27.8 1.2 11 5 0 91.4 2.1 11 7 0 5.7 0.7 11 9 0 25.9 1.8 11 11 0 745.4 9.7 11 13 0 37.3 1.5 11 15 0 9.5 0.8 -11 17 0 3.6 1.2 -11 19 0 76.7 4.0 12 0 0 42.9 2.8 12 2 0 11.4 1.2 12 4 0 14.7 1.3 12 6 0 1.2 0.3 12 8 0 70.4 2.0 12 10 0 115.0 2.6 12 12 0 78.0 4.1 12 14 0 63.4 2.3 12 16 0 1.1 0.6 -12 18 0 12.3 1.6 13 1 0 9.2 1.1 13 3 0 6.5 1.3 13 5 0 25.6 1.8 13 7 0 7.8 1.0 13 9 0 44.2 1.6 13 11 0 92.4 3.2 13 13 0 8.7 1.2 13 15 0 3.9 0.9 14 0 0 735.2 13.8 14 2 0 36.4 2.0 14 4 0 17.0 1.5 14 6 0 0.3 0.5 14 8 0 32.6 2.2 14 10 0 19.1 1.5 14 12 0 141.9 5.3 15 1 0 74.0 2.8 15 3 0 0.0 0.5 15 5 0 16.3 1.7 15 7 0 3.7 0.8 0 0 1 21.2 0.7 0 2 1 79.3 1.0 0 4 1 57.3 1.2 0 6 1 3949.8 34.5 0 8 1 35.0 1.3 0 10 1 304.5 2.6 0 12 1 141.3 2.4 0 14 1 223.2 2.4 0 16 1 920.8 7.0 0 18 1 35.8 1.9 0 20 1 0.4 0.6 0 22 1 0.9 0.6 0 24 1 1.9 0.5 0 26 1 16.2 1.5 0 28 1 163.1 8.8 1 1 1 57.5 1.4 -1 1 1 371.5 5.9 1 3 1 1845.1 23.7 -1 3 1 348.1 4.8 1 5 1 7989.3 90.2 -1 5 1 16.2 0.6 1 7 1 664.5 13.4 -1 7 1 539.5 3.9 1 9 1 187.6 2.5 -1 9 1 938.9 6.7 1 11 1 13.9 0.6 -1 11 1 0.5 0.2 1 13 1 226.2 2.2 -1 13 1 173.2 1.8 1 15 1 115.6 1.8 -1 15 1 306.1 3.3 1 17 1 2857.3 19.3 -1 17 1 24.9 1.5 1 19 1 123.8 2.4 -1 19 1 26.9 1.0 1 21 1 367.6 4.6 -1 21 1 35.1 1.3 1 23 1 14.9 1.0 -1 23 1 68.2 2.1 1 25 1 140.3 6.3 -1 25 1 0.3 0.6 1 27 1 143.5 8.4 -1 27 1 309.2 8.8 1 29 1 166.5 9.2 -1 29 1 79.5 4.1 2 0 1 48.8 3.8 -2 0 1 12.3 0.5 2 2 1 1243.4 10.7 -2 2 1 34.8 0.8 2 4 1 68.5 1.2 -2 4 1 9.7 0.4 2 6 1 4681.5 28.2 -2 6 1 15.9 0.5 2 8 1 14.6 0.5 -2 8 1 4.0 0.5 2 10 1 177.6 1.7 -2 10 1 42.8 0.8 2 12 1 51.8 0.9 -2 12 1 102.6 1.6 2 14 1 36.8 1.0 -2 14 1 638.0 4.4 2 16 1 917.3 8.2 -2 16 1 696.3 6.6 2 18 1 11.2 0.8 -2 18 1 1.2 0.3 2 20 1 3.1 0.6 -2 20 1 5.9 0.9 2 22 1 58.7 2.7 -2 22 1 68.7 2.2 2 24 1 0.5 0.5 -2 24 1 4.1 0.8 2 26 1 115.8 3.9 -2 26 1 4.1 1.0 2 28 1 111.9 7.7 -2 28 1 50.8 3.4 3 1 1 62.0 0.8 -3 1 1 67.5 2.1 3 3 1 132.0 1.5 -3 3 1 1354.8 9.6 3 5 1 3098.6 17.7 -3 5 1 4311.9 59.9 3 7 1 28.2 0.7 -3 7 1 421.3 4.0 3 9 1 4.5 0.4 -3 9 1 300.7 3.3 3 11 1 2.7 0.7 -3 11 1 147.5 1.6 3 13 1 106.1 3.0 -3 13 1 11.7 0.7 3 15 1 86.6 1.8 -3 15 1 16.7 0.8 3 17 1 290.7 5.0 -3 17 1 987.4 17.4 3 19 1 20.5 1.9 -3 19 1 41.2 1.6 3 21 1 1.7 0.5 -3 21 1 91.8 2.2 3 23 1 82.4 2.4 -3 23 1 55.9 2.2 3 25 1 31.2 1.8 -3 25 1 329.8 6.0 3 27 1 215.5 10.9 -3 27 1 63.3 6.1 4 0 1 61.5 1.4 -4 0 1 40.3 0.9 4 2 1 271.4 3.1 -4 2 1 822.6 8.8 4 4 1 55.3 1.0 -4 4 1 39.5 0.8 4 6 1 5677.7 29.7 -4 6 1 1189.3 6.8 4 8 1 86.0 2.5 -4 8 1 0.9 0.9 4 10 1 122.9 1.8 -4 10 1 134.1 1.9 4 12 1 24.7 0.7 -4 12 1 57.3 1.0 4 14 1 1049.3 8.5 -4 14 1 0.8 0.3 4 16 1 1133.0 9.3 -4 16 1 635.8 7.5 4 18 1 927.0 9.3 -4 18 1 0.6 0.3 4 20 1 51.0 1.9 -4 20 1 15.7 1.5 4 22 1 83.6 2.5 -4 22 1 14.0 1.7 4 24 1 1.0 0.5 -4 24 1 0.4 0.5 4 26 1 4.8 2.5 -4 26 1 81.6 6.7 -4 28 1 65.4 6.5 5 1 1 0.4 0.2 -5 1 1 85.8 1.1 5 3 1 18.5 0.5 -5 3 1 71.5 1.2 5 5 1 1888.1 11.8 -5 5 1 947.4 5.8 5 7 1 187.2 2.7 -5 7 1 74.0 1.5 5 9 1 19.5 1.0 -5 9 1 123.2 1.3 5 11 1 60.7 1.2 -5 11 1 5.5 0.4 5 13 1 0.3 0.4 -5 13 1 12.8 0.6 5 15 1 68.4 1.7 -5 15 1 16.7 1.0 5 17 1 412.7 4.9 -5 17 1 242.6 5.7 5 19 1 23.9 1.4 -5 19 1 14.4 1.2 5 21 1 4.2 0.7 -5 21 1 9.2 1.1 5 23 1 23.8 1.3 -5 23 1 34.5 1.9 5 25 1 79.7 6.6 -5 25 1 1.7 0.8 5 27 1 183.4 10.5 -5 27 1 209.7 11.1 6 0 1 3.1 0.5 -6 0 1 17.1 0.7 6 2 1 189.3 1.9 -6 2 1 120.2 1.8 6 4 1 40.0 1.1 -6 4 1 11.8 0.9 6 6 1 134.7 1.8 -6 6 1 8206.6 49.1 6 8 1 22.6 0.9 -6 8 1 208.0 1.9 6 10 1 2.8 0.3 -6 10 1 198.7 1.9 6 12 1 83.6 1.5 -6 12 1 53.2 1.1 6 14 1 14.9 1.0 -6 14 1 283.6 3.6 6 16 1 210.2 4.6 -6 16 1 851.0 9.9 6 18 1 467.8 5.5 -6 18 1 574.1 7.9 6 20 1 76.6 2.4 -6 20 1 50.2 2.2 6 22 1 7.0 0.9 -6 22 1 6.4 1.0 6 24 1 6.1 2.4 -6 24 1 6.6 1.2 6 26 1 34.1 4.8 -6 26 1 39.1 5.4 7 1 1 12.4 0.6 -7 1 1 1.9 0.2 7 3 1 195.0 2.5 -7 3 1 98.5 1.8 7 5 1 420.6 3.8 -7 5 1 3378.5 16.6 7 7 1 5.6 0.5 -7 7 1 384.6 2.9 7 9 1 0.6 0.3 -7 9 1 1.6 0.3 7 11 1 8.0 0.7 -7 11 1 10.7 0.7 7 13 1 7.7 1.0 -7 13 1 15.4 0.9 7 15 1 25.7 1.2 -7 15 1 8.4 0.8 7 17 1 240.5 3.8 -7 17 1 1215.9 13.2 7 19 1 5.0 0.8 -7 19 1 63.2 2.5 7 21 1 97.4 3.6 -7 21 1 48.0 2.3 7 23 1 26.9 4.3 -7 23 1 15.2 1.7 7 25 1 21.4 3.9 -7 25 1 55.4 3.5 8 0 1 5.3 1.0 -8 0 1 11.1 1.6 8 2 1 35.8 1.1 -8 2 1 133.4 1.5 8 4 1 14.7 1.2 -8 4 1 36.8 0.8 8 6 1 1975.2 12.2 -8 6 1 4.7 0.5 8 8 1 4.6 0.8 -8 8 1 11.3 0.8 8 10 1 63.1 1.4 -8 10 1 15.7 1.5 8 12 1 14.0 1.2 -8 12 1 24.1 1.1 8 14 1 149.7 3.4 -8 14 1 3.3 0.5 8 16 1 424.0 9.9 -8 16 1 383.5 5.4 8 18 1 162.2 4.9 -8 18 1 90.9 5.2 8 20 1 0.2 0.7 -8 20 1 15.6 1.4 8 22 1 4.0 1.6 -8 22 1 1.1 0.8 8 24 1 4.4 2.0 -8 24 1 1.4 0.9 9 1 1 0.5 0.4 -9 1 1 13.6 0.9 9 3 1 0.9 0.3 -9 3 1 112.4 1.7 9 5 1 198.8 2.8 -9 5 1 625.3 5.5 9 7 1 18.3 0.9 -9 7 1 10.9 0.8 9 9 1 44.0 2.2 -9 9 1 12.9 0.8 9 11 1 9.2 0.6 -9 11 1 2.6 0.6 9 13 1 7.5 0.8 -9 13 1 23.7 1.1 9 15 1 34.5 2.4 -9 15 1 6.8 0.8 9 17 1 27.5 1.5 -9 17 1 80.6 2.8 9 19 1 7.1 1.3 -9 19 1 0.2 1.2 9 21 1 6.4 1.1 -9 21 1 5.5 1.5 9 23 1 7.5 2.2 -9 23 1 68.7 3.9 10 0 1 5.8 1.9 -10 0 1 4.0 1.1 10 2 1 52.3 1.6 -10 2 1 43.3 1.2 10 4 1 18.3 1.1 -10 4 1 65.9 2.0 10 6 1 189.2 2.9 -10 6 1 1150.2 8.8 10 8 1 64.2 1.6 -10 8 1 1.3 0.3 10 10 1 43.5 1.4 -10 10 1 48.9 1.4 10 12 1 38.0 1.4 -10 12 1 26.7 1.2 10 14 1 26.6 1.4 -10 14 1 290.4 7.1 10 16 1 117.8 3.0 -10 16 1 485.1 11.4 10 18 1 9.2 1.2 -10 18 1 170.4 8.7 10 20 1 19.2 2.0 -10 20 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296.7 2.4 4 6 2 43.6 1.1 -4 6 2 -1.4 0.1 4 8 2 114.1 3.1 -4 8 2 335.5 3.0 4 10 2 379.5 3.6 -4 10 2 415.1 3.4 4 12 2 1283.1 9.1 -4 12 2 20.6 0.7 4 14 2 26.5 1.2 -4 14 2 1.9 0.3 4 16 2 4.3 0.7 -4 16 2 44.5 2.0 4 18 2 78.0 2.7 -4 18 2 34.9 2.1 4 20 2 0.3 0.4 -4 20 2 30.1 1.8 4 22 2 347.3 6.8 -4 22 2 263.9 5.1 4 24 2 38.9 2.0 -4 24 2 8.1 1.2 4 26 2 29.9 4.3 -4 26 2 5.3 1.5 -4 28 2 70.5 4.6 5 1 2 3666.1 22.5 -5 1 2 1316.1 8.0 5 3 2 803.6 5.2 -5 3 2 1.3 0.2 5 5 2 172.9 2.1 -5 5 2 68.4 1.0 5 7 2 21.1 0.8 -5 7 2 6.0 0.4 5 9 2 220.5 2.5 -5 9 2 445.2 3.7 5 11 2 3272.2 22.4 -5 11 2 4148.3 24.5 5 13 2 120.4 2.7 -5 13 2 175.0 2.4 5 15 2 85.5 2.7 -5 15 2 145.7 3.0 5 17 2 13.3 1.1 -5 17 2 15.1 1.0 5 19 2 199.2 3.9 -5 19 2 26.5 2.8 5 21 2 34.4 1.7 -5 21 2 141.3 3.6 5 23 2 756.5 12.0 -5 23 2 312.8 5.8 5 25 2 23.0 2.4 -5 25 2 13.1 2.1 -5 27 2 21.7 2.5 6 0 2 1208.7 15.2 -6 0 2 5897.0 38.9 6 2 2 0.9 0.3 -6 2 2 3.5 0.3 6 4 2 15.4 0.7 -6 4 2 678.2 4.5 6 6 2 73.3 1.4 -6 6 2 0.7 0.2 6 8 2 1.2 0.3 -6 8 2 284.2 2.5 6 10 2 350.8 7.8 -6 10 2 646.6 5.8 6 12 2 109.9 1.9 -6 12 2 616.5 5.3 6 14 2 4.3 0.7 -6 14 2 1.7 0.4 6 16 2 12.8 1.1 -6 16 2 130.4 2.5 6 18 2 0.5 0.5 -6 18 2 9.3 0.9 6 20 2 3.1 0.6 -6 20 2 334.3 5.2 6 22 2 263.8 7.5 -6 22 2 555.2 8.4 6 24 2 2.2 1.3 -6 24 2 111.5 7.2 -6 26 2 24.7 2.6 7 1 2 1.8 1.5 -7 1 2 1.5 0.4 7 3 2 216.9 3.3 -7 3 2 133.4 1.6 7 5 2 62.5 1.6 -7 5 2 44.4 1.2 7 7 2 51.9 1.8 -7 7 2 94.7 1.4 7 9 2 -0.2 0.4 -7 9 2 32.1 0.8 7 11 2 273.9 3.4 -7 11 2 56.0 1.3 7 13 2 7.8 0.7 -7 13 2 92.0 2.6 7 15 2 12.2 0.9 -7 15 2 77.2 1.9 7 17 2 13.3 1.1 -7 17 2 2.3 0.4 7 19 2 13.7 1.2 -7 19 2 3.8 0.8 7 21 2 235.5 5.9 -7 21 2 239.8 5.2 7 23 2 4.8 2.4 -7 23 2 37.1 2.6 -7 25 2 -0.6 1.3 8 0 2 1889.2 28.5 -8 0 2 7.3 0.7 8 2 2 3.5 0.5 -8 2 2 5.2 0.4 8 4 2 193.5 2.8 -8 4 2 390.3 3.4 8 6 2 41.4 1.4 -8 6 2 56.2 1.6 8 8 2 51.7 1.4 -8 8 2 17.6 1.0 8 10 2 195.1 2.9 -8 10 2 160.7 2.6 8 12 2 143.2 2.7 -8 12 2 1.2 0.4 8 14 2 2.9 0.5 -8 14 2 27.4 1.3 8 16 2 22.8 1.4 -8 16 2 14.2 2.4 8 18 2 42.7 2.1 -8 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6 0.6 0.4 0 16 6 42.8 2.8 0 18 6 22.9 2.9 0 20 6 10.0 1.3 1 1 6 518.8 14.3 -1 1 6 4.6 1.6 1 3 6 77.8 2.1 -1 3 6 47.6 1.3 1 5 6 61.3 2.3 -1 5 6 4.2 0.7 1 7 6 7.2 0.9 -1 7 6 60.0 1.9 1 9 6 24.0 1.3 -1 9 6 11.3 0.9 1 11 6 502.9 6.8 -1 11 6 62.7 2.1 1 13 6 18.6 1.3 -1 13 6 63.2 2.1 1 15 6 2.4 0.7 -1 15 6 30.8 2.2 1 17 6 1.9 1.0 -1 17 6 6.3 1.1 1 19 6 65.7 4.9 -1 19 6 -0.5 0.5 2 0 6 2.8 1.0 -2 0 6 2084.9 21.8 2 2 6 0.2 0.4 -2 2 6 5.0 0.8 2 4 6 20.2 1.4 -2 4 6 0.1 0.2 2 6 6 3.2 0.5 -2 6 6 4.6 0.4 2 8 6 2.3 0.6 -2 8 6 7.3 1.2 2 10 6 64.9 2.4 -2 10 6 189.6 3.7 2 12 6 69.4 2.7 -2 12 6 311.3 5.0 2 14 6 19.6 2.0 -2 14 6 0.5 0.4 2 16 6 2.8 0.6 -2 16 6 0.4 0.4 2 18 6 7.9 1.1 -2 18 6 0.5 0.9 -2 20 6 4.1 3.0 3 1 6 4.5 0.8 -3 1 6 783.0 7.4 3 3 6 15.8 1.3 -3 3 6 74.1 1.9 3 5 6 37.6 1.4 -3 5 6 -0.2 0.3 3 7 6 17.8 1.7 -3 7 6 20.4 1.1 3 9 6 22.5 1.8 -3 9 6 283.8 4.1 3 11 6 103.8 3.7 -3 11 6 2142.0 21.8 3 13 6 7.7 1.6 -3 13 6 135.2 3.2 3 15 6 1.1 0.6 -3 15 6 149.9 3.4 3 17 6 16.4 1.6 -3 17 6 1.1 1.0 -3 19 6 44.2 2.7 -3 21 6 40.6 3.3 4 0 6 1751.5 24.3 -4 0 6 508.4 8.0 4 2 6 13.6 1.2 -4 2 6 9.4 0.8 4 4 6 69.4 2.2 -4 4 6 1.8 0.4 4 6 6 18.2 2.2 -4 6 6 2.0 0.4 4 8 6 38.8 1.7 -4 8 6 1.3 0.4 4 10 6 100.3 3.1 -4 10 6 137.4 3.1 4 12 6 330.6 8.9 -4 12 6 6.2 0.8 4 14 6 4.5 1.9 -4 14 6 0.2 0.6 4 16 6 0.9 1.7 -4 16 6 0.0 0.6 -4 18 6 19.9 1.7 -4 20 6 13.4 1.8 5 1 6 158.1 4.0 -5 1 6 29.8 1.6 5 3 6 2.8 0.7 -5 3 6 16.8 1.4 5 5 6 14.8 1.2 -5 5 6 5.5 1.7 5 7 6 2.9 0.7 -5 7 6 101.9 2.6 5 9 6 10.8 1.4 -5 9 6 10.1 0.9 5 11 6 425.0 10.4 -5 11 6 75.4 2.1 5 13 6 4.4 1.3 -5 13 6 29.4 1.5 -5 15 6 34.2 1.9 -5 17 6 16.8 1.9 -5 19 6 2.4 0.7 6 0 6 63.4 5.1 -6 0 6 648.3 11.1 6 2 6 5.4 1.3 -6 2 6 3.1 0.5 6 4 6 101.3 3.7 -6 4 6 1.4 0.4 6 6 6 1.3 0.5 -6 6 6 3.0 0.5 6 8 6 2.4 1.1 -6 8 6 344.9 4.7 6 10 6 39.1 3.2 -6 10 6 191.6 3.4 6 12 6 24.7 3.3 -6 12 6 379.2 5.3 -6 14 6 0.5 0.4 -6 16 6 133.2 3.7 -6 18 6 27.8 1.8 -6 20 6 68.5 2.6 7 1 6 249.0 7.8 -7 1 6 155.1 3.1 7 3 6 45.6 2.4 -7 3 6 35.3 1.4 7 5 6 0.6 0.7 -7 5 6 59.2 1.7 7 7 6 42.1 4.4 -7 7 6 7.9 1.1 7 9 6 5.9 1.5 -7 9 6 35.2 1.6 -7 11 6 257.6 4.2 -7 13 6 4.2 1.0 -7 15 6 2.1 0.6 -7 17 6 1.4 0.5 -7 19 6 56.2 3.1 8 0 6 429.8 15.5 -8 0 6 21.9 1.6 8 2 6 1.4 1.1 -8 2 6 10.1 0.9 8 4 6 9.5 1.2 -8 4 6 120.4 2.6 -8 6 6 0.5 0.6 -8 8 6 113.6 2.6 -8 10 6 30.9 1.8 -8 12 6 68.0 2.1 -8 14 6 25.3 1.8 -8 16 6 9.2 1.1 -8 18 6 9.5 1.1 -9 1 6 28.8 1.3 -9 3 6 3.2 0.6 -9 5 6 2.9 0.6 -9 7 6 2.9 0.5 -9 9 6 79.1 2.2 -9 11 6 440.2 5.9 -9 13 6 0.3 0.5 -9 15 6 5.7 0.9 -9 17 6 1.5 0.5 -10 0 6 2015.4 22.5 -10 2 6 34.5 2.3 -10 4 6 47.7 1.7 -10 6 6 3.4 0.9 -10 8 6 38.6 1.6 -10 10 6 95.1 2.7 -10 12 6 425.0 7.2 -10 14 6 11.4 1.2 -10 16 6 10.1 1.1 -11 1 6 96.8 4.3 -11 3 6 4.5 0.8 -11 5 6 6.7 0.8 -11 7 6 21.7 2.8 -11 9 6 0.8 0.5 -11 11 6 296.4 6.1 -11 13 6 0.5 0.5 -12 0 6 56.7 5.7 -12 2 6 0.5 0.5 -12 4 6 60.9 2.4 -12 6 6 8.1 1.4 -12 8 6 10.0 1.4 -12 10 6 102.6 3.3 -13 1 6 272.0 6.2 -13 3 6 90.1 3.0 -13 5 6 26.3 2.1 -13 7 6 6.8 1.2 0 0 7 0.1 0.7 0 2 7 72.3 2.8 0 4 7 0.3 0.4 0 6 7 157.2 5.6 0 8 7 1.1 0.4 0 10 7 31.3 1.8 0 12 7 11.3 1.4 0 14 7 1.4 0.6 1 1 7 0.1 0.7 -1 1 7 0.3 0.4 1 3 7 112.8 8.3 -1 3 7 0.8 0.6 1 5 7 761.6 22.6 -1 5 7 268.5 6.0 1 7 7 113.4 7.1 -1 7 7 0.8 0.4 1 9 7 52.4 2.5 -1 9 7 12.7 1.1 1 11 7 7.9 1.5 -1 11 7 1.2 0.4 1 13 7 1.7 0.7 -1 13 7 -0.5 0.5 -1 15 7 8.7 1.1 2 0 7 55.0 4.4 -2 0 7 1.1 0.5 2 2 7 3.0 0.8 -2 2 7 94.1 2.5 2 4 7 22.8 1.8 -2 4 7 12.8 1.8 2 6 7 369.7 9.1 -2 6 7 1136.5 15.0 2 8 7 -1.2 0.8 -2 8 7 9.1 1.1 2 10 7 6.4 1.2 -2 10 7 103.8 4.4 2 12 7 1.3 0.9 -2 12 7 12.8 1.4 -2 14 7 133.4 4.4 -2 16 7 281.8 6.8 3 1 7 9.0 1.3 -3 1 7 13.6 0.9 3 3 7 17.5 1.6 -3 3 7 26.0 1.2 3 5 7 8.2 1.8 -3 5 7 245.4 4.9 3 7 7 14.5 3.0 -3 7 7 4.3 0.9 3 9 7 72.0 3.8 -3 9 7 3.1 0.7 3 11 7 1.3 0.8 -3 11 7 1.6 0.7 -3 13 7 0.0 1.3 -3 15 7 0.2 0.5 -3 17 7 132.4 5.6 4 0 7 11.8 2.6 -4 0 7 5.5 0.8 4 2 7 0.6 0.7 -4 2 7 64.6 1.9 4 4 7 0.2 0.9 -4 4 7 2.5 0.5 4 6 7 42.4 4.8 -4 6 7 44.5 1.8 4 8 7 2.8 1.6 -4 8 7 2.2 0.5 -4 10 7 9.2 1.8 -4 12 7 22.4 2.3 -4 14 7 1.0 0.7 -4 16 7 79.9 4.9 5 1 7 2.4 2.3 -5 1 7 0.7 0.4 5 3 7 45.0 3.3 -5 3 7 62.5 2.8 5 5 7 289.4 9.9 -5 5 7 291.3 5.5 -5 7 7 12.4 1.2 -5 9 7 4.4 0.8 -5 11 7 27.2 1.6 -5 13 7 -0.3 1.0 -5 15 7 1.0 0.5 -6 0 7 8.6 1.1 -6 2 7 2.2 0.5 -6 4 7 0.9 0.5 -6 6 7 746.0 9.1 -6 8 7 5.2 0.7 -6 10 7 2.8 0.7 -6 12 7 4.3 0.7 -6 14 7 105.8 3.3 -6 16 7 214.3 8.7 -7 1 7 6.2 0.7 -7 3 7 2.0 0.5 -7 5 7 88.6 2.9 -7 7 7 17.8 1.3 -7 9 7 46.5 2.5 -7 11 7 2.2 0.4 -7 13 7 11.2 1.2 -7 15 7 15.3 1.4 -8 0 7 9.5 1.3 -8 2 7 24.2 1.3 -8 4 7 0.0 0.7 -8 6 7 239.7 5.1 -8 8 7 7.5 1.0 -8 10 7 -0.2 0.5 -8 12 7 7.5 1.0 -8 14 7 0.6 0.7 -9 1 7 -0.1 0.5 -9 3 7 125.4 3.4 -9 5 7 925.3 13.3 -9 7 7 134.2 4.4 -9 9 7 20.8 2.7 -9 11 7 0.2 0.5 -9 13 7 13.3 1.3 -10 0 7 6.3 1.5 -10 2 7 1.8 0.5 -10 4 7 20.9 1.9 -10 6 7 286.3 6.7 -10 8 7 -0.7 0.8 -10 10 7 12.6 1.6 -11 1 7 4.2 0.8 -11 3 7 0.4 0.6 -11 5 7 29.1 2.3 -11 7 7 15.2 1.8 -12 0 7 1.4 0.8 -12 2 7 0.1 0.5 -12 4 7 2.4 0.9 0 0 8 22.7 3.0 0 2 8 -0.7 0.5 0 4 8 13.3 2.6 0 6 8 1.3 1.0 1 1 8 70.4 3.7 -1 1 8 98.2 6.3 1 3 8 12.4 1.8 -1 3 8 2.0 1.1 1 5 8 0.4 0.8 -1 5 8 0.3 0.7 -1 7 8 4.0 1.6 -1 9 8 39.3 4.3 -2 0 8 407.3 13.7 -2 2 8 5.3 1.0 -2 4 8 34.0 3.9 -2 6 8 3.2 0.8 -2 8 8 10.8 1.6 -2 10 8 48.8 3.2 -3 1 8 11.0 1.2 -3 3 8 36.8 2.0 -3 5 8 0.4 0.6 -3 7 8 18.8 2.1 -3 9 8 1.6 0.7 -4 0 8 174.4 5.9 -4 2 8 2.1 0.5 -4 4 8 43.6 3.1 -4 6 8 5.6 1.0 -4 8 8 0.7 0.7 -4 10 8 55.4 4.7 -5 1 8 474.0 7.2 -5 3 8 106.1 3.7 -5 5 8 36.4 2.3 -5 7 8 5.3 1.1 -5 9 8 41.0 3.6 -6 0 8 322.0 8.2 -6 2 8 8.1 0.9 -6 4 8 22.5 1.9 -6 6 8 0.7 0.5 -6 8 8 2.9 0.7 -7 1 8 12.4 1.2 -7 3 8 26.6 5.1 -7 5 8 3.2 0.8 -7 7 8 16.0 1.7 -8 0 8 865.6 15.5 -8 2 8 1.7 0.7 -8 4 8 68.2 3.9 -8 6 8 1.2 0.8 -9 1 8 86.2 2.9 -9 3 8 7.6 1.2 #===END data_FERRO-FERRI-HORNBLENDE-1258 _publ_contact_author ; Roberta Oberti ; _publ_contact_author_email ; oberti@crystal.unipv.it ; loop_ _publ_author_name _publ_author_address 'Oberti R.' 'CNR-IGG, U.O.S. Pavia, Pavia, Italy' 'Boiocchi M.' 'Centro Grandi Strumenti, University of Pavia, Pavia, Italy' 'Hawthorne F.C.' 'Dep. Geological Sciences, University of Manitoba, Winnipeg, Canada' 'Ball N.A.' 'Dep. Geological Sciences, University of Manitoba, Winnipeg, Canada' 'Pagano R.' 'Casella Postale 37, Cinisello (Mi), Italy' 'Pagano A.' 'Casella Postale 37, Cinisello (Mi), Italy' _publ_section_title ; ? ; _audit_creation_method 'manually entered' _chemical_name_systematic ; ? ; _chemical_name_mineral ; FERRO-FERRI-HORNBLENDE ; _chemical_melting_point ? _chemical_formula_moiety ? _chemical_compound_source ; Traversella Mine, val Chiusella, Ivrea, Piemonte, Italy. ; _chemical_formula_analytical ; Al1.68 Ca1.89 Cl0.10 F0.01 Fe2+3.30 Fe3+0.44 H1.89 K0.25 Mg0.82 Mn0.06 Na0.30 O23.89 Si6.72 Ti0.02 ; _chemical_formula_sum 'Al0.80 Ca1.92 Fe3.93 H1.80 Mg1.09 Na0.71 O24 Si7.2' _chemical_formula_weight 948.92 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' 'O2-' 'O2-' 0.0080 0.0060 'Hovesteydt, 1982' 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Al3+' 'Al3+' 0.0645 0.0520 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si4+' 'Si4+' 0.0820 0.0710 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg2+' 'Mg2+' 0.0490 0.0360 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe2+' 'Fe2+' 0.3460 0.8450 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Na+' 'Na+' 0.0360 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca2+' 'Ca2+' 0.2260 0.3060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/m' _symmetry_space_group_name_Hall '-C 2y' _symmetry_Int_Tables_number 12 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' '-x, -y, -z' '-x, y, -z' '-x+1/2, -y+1/2, -z' '-x+1/2, y+1/2, -z' _cell_length_a 9.9412(5) _cell_length_b 18.2218(10) _cell_length_c 5.3318(3) _cell_angle_alpha 90 _cell_angle_beta 104.9460(10) _cell_angle_gamma 90 _cell_volume 933.16(9) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 4451 _cell_measurement_theta_min 2 _cell_measurement_theta_max 35 _exptl_crystal_description 'PLATY PRISM' _exptl_crystal_colour 'DARK GREENISH' _exptl_crystal_density_diffrn 3.377 _exptl_crystal_F_000 932.97 _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.080 _exptl_crystal_size_min 0.060 _exptl_absorpt_coefficient_mu 4.212 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.735 _exptl_absorpt_correction_T_max 0.957 _exptl_absorpt_process_details 'Sadabs (Sheldrick, 1996)' _diffrn_radiation_probe 'x-ray' _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker-Axs Smart-Apex CCD' _diffrn_measurement_method 'omega scan' _diffrn_detector_area_resol_mean 8.333 _diffrn_standards_decay_% 0 _diffrn_reflns_number 10752 _diffrn_reflns_av_R_equivalents 0.016 _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 -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min 2 _diffrn_reflns_theta_max 35 _diffrn_measured_fraction_theta_max 0.999 _reflns_number_total 2120 _reflns_number_gt 1818 _reflns_threshold_expression 'I > 3\s(I)' _computing_data_collection 'SMART (Bruker-Axs Inc)' _computing_cell_refinement 'SAINT (Bruker-Axs Inc)' _computing_data_reduction 'SAINT (Bruker-Axs Inc)' _computing_structure_refinement 'ORFLS (Busing et al., 1962), modified' _refine_special_details ; Refinement of F against reflections with F > 3sigma(F). The threshold expression (_gt) of F > 3sigma(F) corresponds to the cutoff used to discriminate between observed and unobserved reflections for refinement. The use of unitary weigth produces unusual values for the calculated weighted wR-factor (similar to R). ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme UNIT _refine_ls_extinction_method NONE _refine_ls_number_reflns 1818 _refine_ls_number_parameters 120 _refine_ls_R_factor_all 0.0339 _refine_ls_R_factor_gt 0.0286 _refine_ls_wR_factor_ref 0.0272 _refine_ls_wR_factor_gt 0.0244 _refine_ls_restrained_S_all 1.343 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 O1A O 0.10779(14) 0.09004(8) 0.21379(25) 0.0127(3) Uani 0.06(12) 1 d . . P . . O1B O2- 0.10779(14) 0.09004(8) 0.21379(25) 0.0127(3) Uani 0.94(12) 1 d . . P . . O2A O 0.12103(14) 0.17577(8) 0.73027(26) 0.0127(3) Uani 0.25(12) 1 d . . P . . O2B O2- 0.12103(14) 0.17577(8) 0.73027(26) 0.0127(3) Uani 0.75(12) 1 d . . P . . O3A O 0.11438(23) 0.0000 0.71372(38) 0.0163(5) Uani 0.01(8) 2 d S T P . . O3B O2- 0.11438(23) 0.0000 0.71372(38) 0.0163(5) Uani 0.99(8) 2 d S T P . . O4A O 0.36792(15) 0.24799(8) 0.79179(27) 0.0146(4) Uani 0.22(11) 1 d . . P . . O4B O2- 0.36792(15) 0.24799(8) 0.79179(27) 0.0146(4) Uani 0.78(11) 1 d . . P . . O5A O 0.34694(14) 0.13652(8) 0.10171(27) 0.0149(4) Uani 0.31(12) 1 d . . P . . O5B O2- 0.34694(14) 0.13652(8) 0.10171(27) 0.0149(4) Uani 0.69(12) 1 d . . P . . O6A O 0.34230(14) 0.11956(8) 0.59638(27) 0.0147(3) Uani 0.10(12) 1 d . . P . . O6B O2- 0.34230(14) 0.11956(8) 0.59638(27) 0.0147(3) Uani 0.90(12) 1 d . . P . . O7A O 0.33310(22) 0.0000 0.29010(43) 0.0178(6) Uani 0.35(9) 2 d S T P . . O7B O2- 0.33310(22) 0.0000 0.29010(43) 0.0178(6) Uani 0.65(9) 2 d S T P . . T1A Al 0.27912(5) 0.08522(3) 0.29925(10) 0.0095(1) Uani 0.11(10) 1 d . . P . . T1B Si 0.27912(5) 0.08522(3) 0.29925(10) 0.0095(1) Uani 0.44(10) 1 d . . P . . T1C Al3+ 0.27912(5) 0.08522(3) 0.29925(10) 0.0095(1) Uani 0.09(10) 1 d . . P . . T1D Si4+ 0.27912(5) 0.08522(3) 0.29925(10) 0.0095(1) Uani 0.36(10) 1 d . . P . . T2A Si 0.29018(5) 0.17216(3) 0.80880(9) 0.0094(1) Uani 0.64(9) 1 d . . P . . T2B Si4+ 0.29018(5) 0.17216(3) 0.80880(9) 0.0094(1) Uani 0.36(9) 1 d . . P . . M1A Mg2+ 0.0000 0.09038(2) 0.5000 0.0106(1) Uani 0.194(4) 2 d S T P . . M1B Fe2+ 0.0000 0.09038(2) 0.5000 0.0106(1) Uani 0.806(4) 2 d S T P . . M2A Mg2+ 0.0000 0.17884(2) 0.0000 0.0095(1) Uani 0.281(4) 2 d S T P . . M2B Fe2+ 0.0000 0.17884(2) 0.0000 0.0095(1) Uani 0.719(4) 2 d S T P . . M3A Mg2+ 0.0000 0.0000 0.0000 0.0108(2) Uani 0.143(3) 4 d S T P . . M3B Fe2+ 0.0000 0.0000 0.0000 0.0108(2) Uani 0.857(3) 4 d S T P . . M4A Na+ 0.0000 0.28010(20) 0.5000 0.0138(3) Uani 0.041(50) 2 d S T P . . M4B Ca2+ 0.0000 0.28010(20) 0.5000 0.0138(3) Uani 0.959(50) 2 d S T P . . A Na+ 0.0000 0.5000 0.0000 0.014(2) Uiso 0.261(4) 4 d S . P . . AM Na+ 0.0300(16) 0.5000 0.0722(33) 0.020(4) Uiso 0.100(4) 2 d S . P . . A2 Na+ 0.0000 0.4682(13) 0.0000 0.030 Uiso 0.083(4) 2 d S . P . . M42 Fe2+ 0.0000 0.2638(69) 0.5000 0.013 Uiso 0.012(15) 2 d S . P . . H H 0.184(5) 0.0000 0.767(8) 0.013 Uiso 0.9 2 d S . P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 O1A 0.0118(5) 0.0146(5) 0.0116(5) -0.0022(4) 0.0032(4) -0.0007(4) O1B 0.0118(5) 0.0146(5) 0.0116(5) -0.0022(4) 0.0032(4) -0.0007(4) O2A 0.0113(5) 0.0141(5) 0.0123(5) -0.0003(4) 0.0022(4) 0.0012(4) O2B 0.0113(5) 0.0141(5) 0.0123(5) -0.0003(4) 0.0022(4) 0.0012(4) O3A 0.0301(10) 0.0098(7) 0.0104(8) 0.0000 0.0074(7) 0.0000 O3B 0.0301(10) 0.0098(7) 0.0104(8) 0.0000 0.0074(7) 0.0000 O4A 0.0173(6) 0.0131(5) 0.0145(6) -0.0032(4) 0.0060(5) -0.0010(5) O4B 0.0173(6) 0.0131(5) 0.0145(6) -0.0032(4) 0.0060(5) -0.0010(5) O5A 0.0134(6) 0.0182(7) 0.0128(6) 0.0004(4) 0.0025(5) 0.0047(5) O5B 0.0134(6) 0.0182(7) 0.0128(6) 0.0004(4) 0.0025(5) 0.0047(5) O6A 0.0133(6) 0.0155(5) 0.0154(6) 0.0004(4) 0.0036(5) -0.0036(5) O6B 0.0133(6) 0.0155(5) 0.0154(6) 0.0004(4) 0.0036(5) -0.0036(5) O7A 0.0165(9) 0.0140(8) 0.0224(10) 0.0000 0.0038(7) 0.0000 O7B 0.0165(9) 0.0140(8) 0.0224(10) 0.0000 0.0038(7) 0.0000 T1A 0.0102(2) 0.0089(2) 0.0092(2) -0.0005(2) 0.0023(2) 0.0000(1) T1B 0.0102(2) 0.0089(2) 0.0092(2) -0.0005(2) 0.0023(2) 0.0000(1) T1C 0.0102(2) 0.0089(2) 0.0092(2) -0.0005(2) 0.0023(2) 0.0000(1) T1D 0.0102(2) 0.0089(2) 0.0092(2) -0.0005(2) 0.0023(2) 0.0000(1) T2A 0.0095(2) 0.0098(2) 0.0091(2) -0.0008(2) 0.0030(2) 0.0002(1) T2B 0.0095(2) 0.0098(2) 0.0091(2) -0.0008(2) 0.0030(2) 0.0002(1) M1A 0.0124(1) 0.0108(2) 0.0092(1) 0.0000 0.0037(1) 0.0000 M1B 0.0124(1) 0.0108(2) 0.0092(1) 0.0000 0.0037(1) 0.0000 M2A 0.0102(2) 0.0087(2) 0.0099(2) 0.0000 0.0031(1) 0.0000 M2B 0.0102(2) 0.0087(2) 0.0099(2) 0.0000 0.0031(1) 0.0000 M3A 0.0129(3) 0.0089(2) 0.0102(3) 0.0000 0.0024(2) 0.0000 M3B 0.0129(3) 0.0089(2) 0.0102(3) 0.0000 0.0024(2) 0.0000 M4A 0.0158(4) 0.0116(8) 0.0164(4) 0.0000 0.0084(2) 0.0000 M4B 0.0158(4) 0.0116(8) 0.0164(4) 0.0000 0.0084(2) 0.0000 _geom_special_details ; Geometry data (distances and angles) are reported only for T, M and A sites flagged by the A suffix. All esds are estimated using the full covariance matrix. ; 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 T1A O7A 1.648(1) . ? T1A O1A 1.648(1) . ? T1A O6A 1.668(1) . ? T1A O5A 1.675(1) . ? T2A O4A 1.597(1) . ? T2A O2A 1.626(1) . ? T2A O5A 1.651(1) 1_556 ? T2A O6A 1.665(1) . ? M1A O1A 2.079(1) 6_556 ? M1A O1A 2.079(1) . ? M1A O2A 2.148(1) 6_556 ? M1A O2A 2.148(1) . ? M1A O3A 2.153(1) . ? M1A O3A 2.153(1) 5_556 ? M2A O4A 1.996(1) 7_556 ? M2A O4A 1.996(1) 4_454 ? M2A O2A 2.100(1) 6_556 ? M2A O2A 2.100(1) 1_554 ? M2A O1A 2.106(1) 6 ? M2A O1A 2.106(1) . ? M3A O1A 2.124(1) . ? M3A O1A 2.124(1) 5 ? M3A O1A 2.124(1) 6 ? M3A O1A 2.124(1) 2 ? M3A O3A 2.126(2) 5_556 ? M3A O3A 2.126(2) 1_554 ? M4A O4A 2.337(2) 7_556 ? M4A O4A 2.337(2) 4_455 ? M4A O2A 2.410(3) . ? M4A O2A 2.410(3) 6_556 ? M4A O6A 2.546(3) 7_556 ? M4A O6A 2.546(3) 4_455 ? M4A O5A 2.732(2) 7_556 ? M4A O5A 2.732(2) 4_455 ? A O7A 2.543(2) 3_455 ? A O7A 2.543(2) 7 ? A O5A 3.037(2) 8 ? A O5A 3.037(2) 4_455 ? A O5A 3.037(2) 3_455 ? A O5A 3.037(2) 7 ? A O6A 3.177(1) 4_454 ? A O6A 3.177(1) 8_556 ? A O6A 3.177(1) 3_454 ? A O6A 3.177(1) 7_556 ? AM O7A 2.521(13) 3_455 ? AM O7A 2.634(14) 7 ? AM O6A 2.885(12) 8_556 ? AM O6A 2.885(12) 7_556 ? AM O5A 3.022(7) 8 ? AM O5A 3.022(7) 7 ? AM O5A 3.110(9) 4_455 ? AM O5A 3.110(9) 3_455 ? AM O7A 3.320(17) 7_556 ? A2 O5A 2.584(16) 4_455 ? A2 O5A 2.584(16) 7 ? A2 O7A 2.609(5) 7 ? A2 O7A 2.609(5) 3_455 ? A2 O6A 2.812(13) 4_454 ? A2 O6A 2.812(13) 7_556 ? M42 O2A 2.18(9) . ? M42 O2A 2.18(9) 6_556 ? M42 O4A 2.29(1) 7_556 ? M42 O4A 2.29(1) 4_455 ? M42 O6A 2.77(9) 7_556 ? M42 O6A 2.77(9) 4_455 ? M42 O5A 2.91(8) 7_556 ? M42 O5A 2.91(8) 4_455 ? O3A H 0.68(5) . ? 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 O7A T1A O1A 111.3(1) . . ? O7A T1A O6A 109.6(1) . . ? O1A T1A O6A 110.6(1) . . ? O7A T1A O5A 108.7(1) . . ? O1A T1A O5A 110.6(1) . . ? O6A T1A O5A 105.9(1) . . ? O4A T2A O2A 115.7(1) . . ? O4A T2A O5A 110.0(1) . 1_556 ? O2A T2A O5A 109.8(1) . 1_556 ? O4A T2A O6A 102.7(1) . . ? O2A T2A O6A 109.3(1) . . ? O5A T2A O6A 109.1(1) 1_556 . ? O1A M1A O1A 179.7(3) 6_556 . ? O1A M1A O2A 95.9(1) 6_556 6_556 ? O1A M1A O2A 84.3(1) . 6_556 ? O1A M1A O2A 84.3(1) 6_556 . ? O1A M1A O2A 95.9(1) . . ? O2A M1A O2A 87.2(1) 6_556 . ? O1A M1A O3A 84.9(1) 6_556 . ? O1A M1A O3A 94.8(1) . . ? O2A M1A O3A 176.5(1) 6_556 . ? O2A M1A O3A 96.3(1) . . ? O1A M1A O3A 94.8(1) 6_556 5_556 ? O1A M1A O3A 84.9(1) . 5_556 ? O2A M1A O3A 96.3(1) 6_556 5_556 ? O2A M1A O3A 176.5(1) . 5_556 ? O3A M1A O3A 80.2(1) . 5_556 ? O4A M2A O4A 96.2(1) 7_556 4_454 ? O4A M2A O2A 92.7(1) 7_556 6_556 ? O4A M2A O2A 89.3(1) 4_454 6_556 ? O4A M2A O2A 89.3(1) 7_556 1_554 ? O4A M2A O2A 92.7(1) 4_454 1_554 ? O2A M2A O2A 176.9(1) 6_556 1_554 ? O4A M2A O1A 169.8(1) 7_556 6 ? O4A M2A O1A 92.4(1) 4_454 6 ? O2A M2A O1A 92.8(1) 6_556 6 ? O2A M2A O1A 84.9(1) 1_554 6 ? O4A M2A O1A 92.4(1) 7_556 . ? O4A M2A O1A 169.8(1) 4_454 . ? O2A M2A O1A 84.9(1) 6_556 . ? O2A M2A O1A 92.8(1) 1_554 . ? O1A M2A O1A 79.6(1) 6 . ? O1A M3A O1A 180.0 . 5 ? O1A M3A O1A 78.8(1) . 6 ? O1A M3A O1A 101.2(1) 5 6 ? O1A M3A O1A 101.2(1) . 2 ? O1A M3A O1A 78.8(1) 5 2 ? O1A M3A O1A 180.0 6 2 ? O1A M3A O3A 84.5(1) . 5_556 ? O1A M3A O3A 95.5(1) 5 5_556 ? O1A M3A O3A 95.5(1) 6 5_556 ? O1A M3A O3A 84.5(1) 2 5_556 ? O1A M3A O3A 95.5(1) . 1_554 ? O1A M3A O3A 84.5(1) 5 1_554 ? O1A M3A O3A 84.5(1) 6 1_554 ? O1A M3A O3A 95.5(1) 2 1_554 ? O3A M3A O3A 180.0 5_556 1_554 ? O4A M4A O4A 154.7(2) 7_556 4_455 ? O4A M4A O2A 82.8(1) 7_556 . ? O4A M4A O2A 77.3(1) 4_455 . ? O4A M4A O2A 77.3(1) 7_556 6_556 ? O4A M4A O2A 82.8(1) 4_455 6_556 ? O2A M4A O2A 75.8(1) . 6_556 ? O4A M4A O6A 62.7(1) 7_556 7_556 ? O4A M4A O6A 140.6(1) 4_455 7_556 ? O2A M4A O6A 114.6(1) . 7_556 ? O2A M4A O6A 135.8(1) 6_556 7_556 ? O4A M4A O6A 140.6(1) 7_556 4_455 ? O4A M4A O6A 62.7(1) 4_455 4_455 ? O2A M4A O6A 135.8(1) . 4_455 ? O2A M4A O6A 114.6(1) 6_556 4_455 ? O6A M4A O6A 88.2(1) 7_556 4_455 ? O4A M4A O5A 110.1(1) 7_556 7_556 ? O4A M4A O5A 84.3(1) 4_455 7_556 ? O2A M4A O5A 86.4(1) . 7_556 ? O2A M4A O5A 159.9(1) 6_556 7_556 ? O6A M4A O5A 60.6(1) 7_556 7_556 ? O6A M4A O5A 72.1(1) 4_455 7_556 ? O4A M4A O5A 84.3(1) 7_556 4_455 ? O4A M4A O5A 110.1(1) 4_455 4_455 ? O2A M4A O5A 159.9(1) . 4_455 ? O2A M4A O5A 86.4(1) 6_556 4_455 ? O6A M4A O5A 72.1(1) 7_556 4_455 ? O6A M4A O5A 60.6(1) 4_455 4_455 ? O5A M4A O5A 112.4(1) 7_556 4_455 ? O7A A O7A 180.0 3_455 7 ? O7A A O5A 122.96(3) 3_455 8 ? O7A A O5A 57.04(3) 7 8 ? O7A A O5A 57.04(3) 3_455 4_455 ? O7A A O5A 122.96(3) 7 4_455 ? O5A A O5A 180.0 8 4_455 ? O7A A O5A 57.04(3) 3_455 3_455 ? O7A A O5A 122.96(3) 7 3_455 ? O5A A O5A 70.0(1) 8 3_455 ? O5A A O5A 110.0(1) 4_455 3_455 ? O7A A O5A 122.96(3) 3_455 7 ? O7A A O5A 57.04(3) 7 7 ? O5A A O5A 110.0(1) 8 7 ? O5A A O5A 70.0(1) 4_455 7 ? O5A A O5A 180.0 3_455 7 ? O7A A O6A 97.3(1) 3_455 4_454 ? O7A A O6A 82.7(1) 7 4_454 ? O5A A O6A 128.55(4) 8 4_454 ? O5A A O6A 51.45(4) 4_455 4_454 ? O5A A O6A 120.0(1) 3_455 4_454 ? O5A A O6A 60.0(1) 7 4_454 ? O7A A O6A 82.7(1) 3_455 8_556 ? O7A A O6A 97.3(1) 7 8_556 ? O5A A O6A 51.45(4) 8 8_556 ? O5A A O6A 128.55(4) 4_455 8_556 ? O5A A O6A 60.0(1) 3_455 8_556 ? O5A A O6A 120.0(1) 7 8_556 ? O6A A O6A 180.0 4_454 8_556 ? O7A A O6A 97.3(1) 3_455 3_454 ? O7A A O6A 82.7(1) 7 3_454 ? O5A A O6A 60.0(1) 8 3_454 ? O5A A O6A 120.0(1) 4_455 3_454 ? O5A A O6A 51.45(4) 3_455 3_454 ? O5A A O6A 128.55(4) 7 3_454 ? O6A A O6A 86.6(1) 4_454 3_454 ? O6A A O6A 93.4(1) 8_556 3_454 ? O7A A O6A 82.7(1) 3_455 7_556 ? O7A A O6A 97.3(1) 7 7_556 ? O5A A O6A 120.0(1) 8 7_556 ? O5A A O6A 60.0(1) 4_455 7_556 ? O5A A O6A 128.55(4) 3_455 7_556 ? O5A A O6A 51.45(4) 7 7_556 ? O6A A O6A 93.4(1) 4_454 7_556 ? O6A A O6A 86.6(1) 8_556 7_556 ? O6A A O6A 180.0 3_454 7_556 ? O7A AM O7A 161.3(4) 3_455 7 ? O7A AM O6A 89.4(4) 3_455 8_556 ? O7A AM O6A 102.7(4) 7 8_556 ? O7A AM O6A 89.4(4) 3_455 7_556 ? O7A AM O6A 102.7(4) 7 7_556 ? O6A AM O6A 98.1(5) 8_556 7_556 ? O7A AM O5A 124.4(2) 3_455 8 ? O7A AM O5A 56.5(2) 7 8 ? O6A AM O5A 54.4(1) 8_556 8 ? O6A AM O5A 131.4(6) 7_556 8 ? O7A AM O5A 124.4(2) 3_455 7 ? O7A AM O5A 56.5(2) 7 7 ? O6A AM O5A 131.4(6) 8_556 7 ? O6A AM O5A 54.4(1) 7_556 7 ? O5A AM O5A 110.8(4) 8 7 ? O7A AM O5A 56.1(2) 3_455 4_455 ? O7A AM O5A 117.2(4) 7 4_455 ? O6A AM O5A 138.1(5) 8_556 4_455 ? O6A AM O5A 62.3(1) 7_556 4_455 ? O5A AM O5A 164.3(6) 8 4_455 ? O5A AM O5A 69.2(1) 7 4_455 ? O7A AM O5A 56.1(2) 3_455 3_455 ? O7A AM O5A 117.2(3) 7 3_455 ? O6A AM O5A 62.3(1) 8_556 3_455 ? O6A AM O5A 138.1(5) 7_556 3_455 ? O5A AM O5A 69.2(1) 8 3_455 ? O5A AM O5A 164.3(6) 7 3_455 ? O5A AM O5A 106.2(4) 4_455 3_455 ? O7A AM O7A 71.9(4) 3_455 7_556 ? O7A AM O7A 126.7(6) 7 7_556 ? O6A AM O7A 51.2(3) 8_556 7_556 ? O6A AM O7A 51.2(3) 7_556 7_556 ? O5A AM O7A 102.9(4) 8 7_556 ? O5A AM O7A 102.9(4) 7 7_556 ? O5A AM O7A 92.2(3) 4_455 7_556 ? O5A AM O7A 92.2(3) 3_455 7_556 ? O5A A2 O5A 84.8(7) 4_455 7 ? O5A A2 O7A 142.0(7) 4_455 7 ? O5A A2 O7A 62.7(2) 7 7 ? O5A A2 O7A 62.7(2) 4_455 3_455 ? O5A A2 O7A 142.0(7) 7 3_455 ? O7A A2 O7A 154.3(10) 7 3_455 ? O5A A2 O6A 59.9(4) 4_455 4_454 ? O5A A2 O6A 70.2(4) 7 4_454 ? O7A A2 O6A 89.3(2) 7 4_454 ? O7A A2 O6A 105.4(2) 3_455 4_454 ? O5A A2 O6A 70.2(4) 4_455 7_556 ? O5A A2 O6A 59.9(4) 7 7_556 ? O7A A2 O6A 105.4(2) 7 7_556 ? O7A A2 O6A 89.3(2) 3_455 7_556 ? O6A A2 O6A 110.7(8) 4_454 7_556 ? O2A M42 O2A 85.5(52) . 6_556 ? O2A M42 O4A 89.1(32) . 7_556 ? O2A M42 O4A 83.0(29) 6_556 7_556 ? O2A M42 O4A 83.0(29) . 4_455 ? O2A M42 O4A 89.1(32) 6_556 4_455 ? O4A M42 O4A 169.3(76) 7_556 4_455 ? O2A M42 O6A 114.4(4) . 7_556 ? O2A M42 O6A 135.8(3) 6_556 7_556 ? O4A M42 O6A 59.6(18) 7_556 7_556 ? O4A M42 O6A 130.5(53) 4_455 7_556 ? O2A M42 O6A 135.8(3) . 4_455 ? O2A M42 O6A 114.4(4) 6_556 4_455 ? O4A M42 O6A 130.5(53) 7_556 4_455 ? O4A M42 O6A 59.6(18) 4_455 4_455 ? O6A M42 O6A 79.6(42) 7_556 4_455 ? O2A M42 O5A 86.5(2) . 7_556 ? O2A M42 O5A 168.0(40) 6_556 7_556 ? O4A M42 O5A 105.7(25) 7_556 7_556 ? O4A M42 O5A 81.1(18) 4_455 7_556 ? O6A M42 O5A 56.0(23) 7_556 7_556 ? O6A M42 O5A 66.4(29) 4_455 7_556 ? O2A M42 O5A 168.0(40) . 4_455 ? O2A M42 O5A 86.5(2) 6_556 4_455 ? O4A M42 O5A 81.1(18) 7_556 4_455 ? O4A M42 O5A 105.7(25) 4_455 4_455 ? O6A M42 O5A 66.4(29) 7_556 4_455 ? O6A M42 O5A 56.0(23) 4_455 4_455 ? O5A M42 O5A 102.7(49) 7_556 4_455 ? T2A O5A T1A 136.0(1) 1_554 . ? T2A O6A T1A 139.0(1) . . ? T1A O7A T1A 140.9(1) . 2 ? O6A O7A O6A 107.0(1) . 2 ? O5A O6A O5A 166.6(1) . 1_556 ? _refine_diff_density_max 3.00 _refine_diff_density_min -0.72 _refine_diff_density_rms 0.156 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma 0 2 0 156.4 2.2 0 4 0 745.1 9.2 0 6 0 45.1 1.3 0 8 0 18.5 0.6 0 10 0 2003.2 17.4 0 12 0 4975.5 47.8 0 14 0 67.6 1.8 0 16 0 1.0 0.3 0 18 0 17.4 1.6 0 20 0 221.0 4.5 0 22 0 1197.0 26.6 0 24 0 612.7 12.0 0 26 0 138.8 7.2 0 28 0 48.0 4.0 -1 1 0 1218.3 18.2 1 3 0 20.1 0.6 1 5 0 2.4 0.3 1 7 0 4.0 0.4 1 9 0 264.3 2.5 1 11 0 3787.3 26.6 1 13 0 4.0 0.4 1 15 0 45.5 1.0 1 17 0 9.7 0.7 1 19 0 19.4 1.2 1 21 0 293.9 4.4 1 23 0 84.6 2.3 1 25 0 0.0 1.0 1 27 0 7.0 1.1 1 29 0 6.7 2.1 -2 0 0 361.0 7.3 2 2 0 33.8 0.7 2 4 0 989.4 10.2 2 6 0 -0.6 0.1 2 8 0 1.8 0.2 2 10 0 573.8 5.0 2 12 0 7.6 0.6 2 14 0 38.2 1.2 2 16 0 3.1 0.5 2 18 0 76.9 1.9 2 20 0 37.2 1.6 2 22 0 168.4 3.3 2 24 0 61.3 2.0 2 26 0 -0.1 0.3 2 28 0 37.2 4.3 3 1 0 3624.3 30.0 3 3 0 804.2 6.6 3 5 0 474.6 3.6 3 7 0 525.1 4.2 3 9 0 41.3 0.9 3 11 0 1812.4 12.5 3 13 0 10.8 0.8 3 15 0 14.3 0.9 3 17 0 71.9 1.8 3 19 0 162.5 3.0 3 21 0 89.4 2.3 3 23 0 261.3 6.7 3 25 0 24.7 2.4 -3 27 0 39.7 3.7 4 0 0 739.0 12.0 4 2 0 6.7 0.3 4 4 0 1.3 0.4 4 6 0 0.4 0.2 4 8 0 1164.6 9.5 4 10 0 878.9 6.8 4 12 0 587.2 9.0 4 14 0 14.4 1.7 4 16 0 369.2 3.9 4 18 0 37.5 2.0 4 20 0 136.5 3.9 4 22 0 412.7 5.7 4 24 0 23.5 1.7 4 26 0 6.1 0.8 -4 28 0 -0.8 0.4 5 1 0 247.9 3.2 5 3 0 320.1 2.6 5 5 0 17.8 0.5 5 7 0 105.7 1.9 5 9 0 0.6 0.3 5 11 0 16.7 1.3 5 13 0 128.8 2.2 5 15 0 85.6 2.4 5 17 0 2.4 0.7 5 19 0 0.1 0.3 5 21 0 236.8 4.7 5 23 0 97.0 5.1 5 25 0 0.5 0.4 -5 27 0 1.0 0.5 6 0 0 3017.1 23.4 6 2 0 62.0 1.0 6 4 0 7.3 0.4 6 6 0 173.2 1.9 6 8 0 155.5 2.0 6 10 0 192.3 3.4 6 12 0 8.8 0.6 6 14 0 6.6 0.5 6 16 0 40.9 1.2 6 18 0 108.6 2.3 6 20 0 8.1 0.7 6 22 0 180.6 5.1 6 24 0 4.5 0.8 6 26 0 6.8 1.0 7 1 0 1064.4 6.7 7 3 0 198.1 2.1 7 5 0 0.1 0.2 7 7 0 58.0 1.2 7 9 0 638.7 6.0 7 11 0 3388.3 25.0 7 13 0 96.6 2.3 7 15 0 292.6 3.7 7 17 0 15.2 0.9 7 19 0 117.6 2.5 7 21 0 44.5 1.7 7 23 0 391.1 6.7 7 25 0 2.5 0.8 8 0 0 2142.9 19.9 8 2 0 25.4 0.8 8 4 0 27.5 0.8 8 6 0 47.5 1.0 8 8 0 1.0 0.3 8 10 0 283.0 3.6 8 12 0 306.5 4.1 8 14 0 0.0 0.9 8 16 0 3.7 0.5 8 18 0 1.0 0.6 8 20 0 0.8 0.5 8 22 0 260.5 6.1 8 24 0 20.1 1.7 9 1 0 197.6 2.6 9 3 0 2.8 0.3 9 5 0 0.7 0.2 9 7 0 273.6 3.5 9 9 0 26.3 1.2 9 11 0 210.6 3.4 9 13 0 42.8 1.3 9 15 0 45.8 1.4 9 17 0 62.7 1.7 9 19 0 0.2 0.5 9 21 0 167.4 4.8 9 23 0 5.8 1.0 10 0 0 1341.5 14.0 10 2 0 11.8 0.7 10 4 0 0.2 0.3 10 6 0 31.4 1.0 10 8 0 328.6 5.2 10 10 0 311.4 6.2 10 12 0 593.0 6.1 10 14 0 18.8 1.5 10 16 0 82.9 2.0 10 18 0 64.1 1.9 10 20 0 49.8 2.6 10 22 0 277.2 7.8 11 1 0 489.8 6.3 11 3 0 26.5 1.1 11 5 0 107.2 2.2 11 7 0 3.6 0.6 11 9 0 16.8 1.1 11 11 0 725.6 7.1 11 13 0 30.8 1.3 11 15 0 16.8 1.0 11 17 0 3.9 0.8 11 19 0 70.9 2.6 12 0 0 48.3 2.9 12 2 0 19.7 1.1 12 4 0 12.7 0.9 12 6 0 1.2 0.5 12 8 0 72.2 2.0 12 10 0 131.6 3.0 12 12 0 54.7 1.7 12 14 0 79.4 2.8 12 16 0 -0.3 0.7 12 18 0 11.0 1.6 13 1 0 5.4 0.7 13 3 0 5.9 0.6 13 5 0 22.2 1.4 13 7 0 10.5 0.9 13 9 0 47.3 1.9 13 11 0 102.4 4.7 13 13 0 7.1 1.2 13 15 0 5.7 1.1 14 0 0 686.8 13.8 14 2 0 30.5 1.6 14 4 0 13.7 1.1 14 6 0 1.3 0.6 14 8 0 36.2 2.4 14 10 0 31.0 3.8 14 12 0 126.6 4.8 15 1 0 58.9 2.4 15 3 0 -0.3 0.4 15 5 0 16.8 1.7 15 7 0 4.9 1.0 0 0 1 3.5 0.2 0 2 1 56.1 2.1 0 4 1 110.7 1.7 0 6 1 4180.3 36.8 0 8 1 25.4 0.6 0 10 1 309.4 2.6 0 12 1 197.4 2.2 0 14 1 193.0 2.3 0 16 1 953.2 12.1 0 18 1 36.5 1.1 0 20 1 0.2 0.3 0 22 1 2.9 0.6 0 24 1 3.4 0.7 0 26 1 5.2 0.8 0 28 1 170.0 8.7 1 1 1 63.0 0.9 -1 1 1 275.0 2.7 1 3 1 1757.5 18.8 -1 3 1 250.8 5.7 1 5 1 7686.5 131.6 -1 5 1 14.9 0.6 1 7 1 512.4 3.8 -1 7 1 496.4 3.7 1 9 1 199.3 1.9 -1 9 1 842.2 5.6 1 11 1 6.4 0.7 -1 11 1 -0.4 0.2 1 13 1 252.1 2.7 -1 13 1 185.3 1.8 1 15 1 40.3 1.0 -1 15 1 241.9 3.0 1 17 1 2700.7 21.8 -1 17 1 35.9 1.3 1 19 1 74.9 1.9 -1 19 1 8.8 0.8 1 21 1 374.0 5.8 -1 21 1 20.2 1.1 1 23 1 28.9 1.6 -1 23 1 56.3 2.4 1 25 1 113.5 4.7 -1 25 1 0.5 0.4 1 27 1 179.4 6.1 -1 27 1 216.9 9.8 1 29 1 130.7 7.5 -1 29 1 55.4 4.6 2 0 1 24.2 0.9 -2 0 1 -2.6 0.4 2 2 1 1340.6 11.5 -2 2 1 10.6 0.4 2 4 1 127.2 2.0 -2 4 1 22.3 0.6 2 6 1 4632.3 38.9 -2 6 1 18.0 0.7 2 8 1 6.4 0.4 -2 8 1 22.8 0.5 2 10 1 156.4 1.9 -2 10 1 40.2 0.8 2 12 1 74.8 2.9 -2 12 1 125.0 2.3 2 14 1 58.6 1.4 -2 14 1 585.4 4.8 2 16 1 876.5 7.8 -2 16 1 721.4 7.0 2 18 1 7.0 0.7 -2 18 1 1.9 0.4 2 20 1 2.2 0.8 -2 20 1 1.9 0.4 2 22 1 71.1 2.7 -2 22 1 53.2 2.0 2 24 1 0.8 0.5 -2 24 1 6.2 1.0 2 26 1 143.5 5.0 -2 26 1 8.6 1.5 2 28 1 82.0 3.9 -2 28 1 30.2 3.7 3 1 1 39.4 0.9 -3 1 1 79.3 1.9 3 3 1 145.6 1.5 -3 3 1 1388.4 10.9 3 5 1 3037.3 17.2 -3 5 1 4198.2 31.7 3 7 1 23.7 0.7 -3 7 1 359.0 4.8 3 9 1 0.6 0.2 -3 9 1 339.7 2.8 3 11 1 0.7 0.3 -3 11 1 138.1 1.5 3 13 1 101.1 1.7 -3 13 1 10.2 0.5 3 15 1 104.5 2.0 -3 15 1 4.9 0.6 3 17 1 231.1 3.3 -3 17 1 885.1 9.0 3 19 1 13.0 1.4 -3 19 1 30.3 1.4 3 21 1 0.7 0.6 -3 21 1 96.0 2.4 3 23 1 91.7 2.8 -3 23 1 50.9 2.0 3 25 1 23.7 1.5 -3 25 1 291.4 5.4 3 27 1 202.0 6.1 -3 27 1 78.2 5.6 4 0 1 61.6 2.0 -4 0 1 22.9 1.6 4 2 1 218.5 1.9 -4 2 1 928.5 6.5 4 4 1 92.4 1.1 -4 4 1 86.0 1.2 4 6 1 5429.7 30.3 -4 6 1 1262.3 8.7 4 8 1 87.3 1.4 -4 8 1 4.6 0.4 4 10 1 123.5 2.1 -4 10 1 112.7 1.7 4 12 1 25.9 0.9 -4 12 1 85.3 1.5 4 14 1 966.9 7.8 -4 14 1 1.2 0.3 4 16 1 1318.1 11.0 -4 16 1 625.5 6.6 4 18 1 800.3 8.5 -4 18 1 0.2 0.2 4 20 1 90.8 3.3 -4 20 1 17.9 1.8 4 22 1 50.7 4.6 -4 22 1 14.9 2.1 4 24 1 -0.4 0.4 -4 24 1 0.1 0.4 4 26 1 0.5 1.0 -4 26 1 101.7 7.6 -4 28 1 36.0 6.0 5 1 1 2.3 0.4 -5 1 1 86.2 1.2 5 3 1 17.8 0.5 -5 3 1 76.7 1.1 5 5 1 1857.6 11.2 -5 5 1 849.6 5.6 5 7 1 166.1 2.2 -5 7 1 75.4 1.1 5 9 1 11.8 0.6 -5 9 1 113.7 1.5 5 11 1 85.7 1.6 -5 11 1 7.9 0.5 5 13 1 1.0 0.3 -5 13 1 9.9 0.6 5 15 1 91.1 1.8 -5 15 1 30.5 1.0 5 17 1 339.2 4.8 -5 17 1 191.6 2.7 5 19 1 22.9 2.1 -5 19 1 8.5 0.7 5 21 1 7.8 1.1 -5 21 1 13.8 1.6 5 23 1 19.3 1.4 -5 23 1 54.8 2.8 5 25 1 58.0 3.7 -5 25 1 -0.5 0.8 5 27 1 171.4 6.1 -5 27 1 176.3 6.2 6 0 1 1.6 0.4 -6 0 1 4.1 0.4 6 2 1 195.3 2.1 -6 2 1 91.2 1.2 6 4 1 50.9 1.2 -6 4 1 27.9 0.9 6 6 1 93.8 1.5 -6 6 1 7805.6 45.8 6 8 1 40.8 1.2 -6 8 1 232.2 2.3 6 10 1 0.4 0.2 -6 10 1 183.0 2.4 6 12 1 112.3 2.0 -6 12 1 81.0 1.6 6 14 1 14.3 0.8 -6 14 1 223.2 2.9 6 16 1 174.4 2.9 -6 16 1 944.0 16.2 6 18 1 372.2 5.3 -6 18 1 458.9 4.9 6 20 1 84.7 3.4 -6 20 1 69.6 3.4 6 22 1 4.0 1.0 -6 22 1 16.3 1.1 6 24 1 4.9 0.9 -6 24 1 11.4 1.3 6 26 1 40.2 2.4 -6 26 1 11.4 1.7 7 1 1 13.6 0.8 -7 1 1 8.5 0.4 7 3 1 201.9 2.2 -7 3 1 97.5 1.2 7 5 1 446.5 5.7 -7 5 1 3335.4 19.4 7 7 1 3.8 0.4 -7 7 1 314.5 2.9 7 9 1 0.8 0.3 -7 9 1 4.4 0.5 7 11 1 10.2 0.7 -7 11 1 14.7 0.9 7 13 1 8.7 0.7 -7 13 1 19.0 0.9 7 15 1 18.1 1.0 -7 15 1 21.2 0.9 7 17 1 264.7 4.7 -7 17 1 1119.8 11.4 7 19 1 3.9 0.6 -7 19 1 38.8 1.3 7 21 1 106.3 2.8 -7 21 1 69.9 3.7 7 23 1 48.7 3.4 -7 23 1 19.6 1.4 7 25 1 15.8 1.6 -7 25 1 40.7 3.0 8 0 1 2.9 0.5 -8 0 1 11.0 0.7 8 2 1 23.0 0.8 -8 2 1 137.9 2.7 8 4 1 25.2 0.8 -8 4 1 43.3 1.1 8 6 1 1869.2 12.7 -8 6 1 9.8 0.5 8 8 1 2.4 0.8 -8 8 1 23.5 0.9 8 10 1 64.3 1.9 -8 10 1 7.2 0.6 8 12 1 20.1 0.9 -8 12 1 23.2 1.0 8 14 1 125.6 2.6 -8 14 1 1.9 0.4 8 16 1 456.1 5.6 -8 16 1 364.1 4.3 8 18 1 131.9 2.8 -8 18 1 70.1 1.8 8 20 1 0.0 0.4 -8 20 1 11.7 1.5 8 22 1 2.6 0.6 -8 22 1 3.0 0.6 8 24 1 5.0 0.8 -8 24 1 2.6 2.0 9 1 1 0.8 0.3 -9 1 1 8.9 1.1 9 3 1 0.6 0.2 -9 3 1 126.3 1.8 9 5 1 184.6 2.5 -9 5 1 663.3 5.2 9 7 1 17.9 0.8 -9 7 1 8.4 0.8 9 9 1 43.6 1.2 -9 9 1 17.8 0.9 9 11 1 7.1 0.6 -9 11 1 2.2 0.4 9 13 1 7.9 1.2 -9 13 1 26.4 1.4 9 15 1 36.6 1.5 -9 15 1 5.7 0.6 9 17 1 15.4 2.5 -9 17 1 72.9 2.1 9 19 1 0.2 1.2 -9 19 1 0.2 0.4 9 21 1 1.9 0.6 -9 21 1 10.0 1.2 9 23 1 11.8 1.4 -9 23 1 67.1 3.7 10 0 1 12.7 1.0 -10 0 1 4.4 1.4 10 2 1 50.3 1.3 -10 2 1 33.6 1.1 10 4 1 20.1 0.9 -10 4 1 93.2 3.1 10 6 1 187.9 2.7 -10 6 1 1142.8 19.8 10 8 1 62.0 1.5 -10 8 1 1.8 0.4 10 10 1 42.5 1.5 -10 10 1 54.4 1.5 10 12 1 50.4 2.2 -10 12 1 33.9 1.2 10 14 1 33.5 1.4 -10 14 1 261.0 3.7 10 16 1 127.6 3.1 -10 16 1 537.4 8.6 10 18 1 7.4 1.3 -10 18 1 156.9 3.2 10 20 1 29.7 2.1 -10 20 1 0.2 0.5 -10 22 1 19.2 2.2 11 1 1 4.9 0.5 -11 1 1 1.8 0.4 11 3 1 215.8 3.5 -11 3 1 0.8 0.3 11 5 1 1314.1 10.9 -11 5 1 48.8 1.5 11 7 1 195.4 4.5 -11 7 1 21.5 1.1 11 9 1 83.0 3.4 -11 9 1 81.6 2.0 11 11 1 0.4 0.5 -11 11 1 40.1 1.4 11 13 1 0.4 0.3 -11 13 1 1.0 0.7 11 15 1 0.5 0.7 -11 15 1 28.7 1.2 11 17 1 553.6 11.6 -11 17 1 8.9 0.9 11 19 1 4.9 0.8 -11 19 1 0.4 0.6 -11 21 1 1.8 0.8 12 0 1 71.1 2.4 -12 0 1 1.7 0.5 12 2 1 2.1 0.4 -12 2 1 82.3 2.7 12 4 1 78.2 2.7 -12 4 1 19.6 1.1 12 6 1 471.1 10.7 -12 6 1 28.8 1.3 12 8 1 3.6 0.5 -12 8 1 24.3 1.1 12 10 1 20.5 1.4 -12 10 1 8.6 0.7 12 12 1 0.2 0.5 -12 12 1 57.5 2.1 12 14 1 26.4 1.7 -12 14 1 3.5 0.7 12 16 1 322.5 7.1 -12 16 1 26.1 2.0 -12 18 1 52.6 2.7 13 1 1 3.3 0.6 -13 1 1 14.1 0.9 13 3 1 7.7 0.7 -13 3 1 155.7 2.8 13 5 1 31.7 1.7 -13 5 1 631.2 13.1 13 7 1 9.4 1.3 -13 7 1 28.6 1.4 13 9 1 54.8 2.8 -13 9 1 21.6 1.6 13 11 1 1.5 1.0 -13 11 1 21.8 1.3 13 13 1 1.5 0.7 -13 13 1 2.7 0.6 -13 15 1 16.5 1.7 -13 17 1 403.4 11.6 14 0 1 29.9 2.6 -14 0 1 31.6 2.1 14 2 1 -1.0 0.5 -14 2 1 2.9 0.5 14 4 1 7.0 1.0 -14 4 1 3.7 0.5 14 6 1 173.8 5.2 -14 6 1 507.6 7.9 14 8 1 -0.1 0.7 -14 8 1 3.0 0.8 14 10 1 10.2 1.4 -14 10 1 8.6 1.2 -14 12 1 2.7 0.7 -14 14 1 51.8 4.5 -15 1 1 2.3 0.9 -15 3 1 0.0 0.6 -15 5 1 98.9 3.8 -15 7 1 0.8 0.6 -15 9 1 5.6 1.5 0 0 2 36.9 0.8 0 2 2 10.7 0.4 0 4 2 4.3 0.3 0 6 2 9.3 0.8 0 8 2 46.7 1.3 0 10 2 200.6 3.3 0 12 2 638.9 4.5 0 14 2 120.8 2.7 0 16 2 6.5 0.8 0 18 2 76.7 2.2 0 20 2 0.7 0.5 0 22 2 85.0 3.1 0 24 2 106.7 4.4 0 26 2 1.8 1.0 0 28 2 7.6 1.9 1 1 2 285.4 2.2 -1 1 2 316.0 2.8 1 3 2 21.6 0.6 -1 3 2 1.7 0.2 1 5 2 36.4 1.0 -1 5 2 277.3 2.6 1 7 2 51.1 0.7 -1 7 2 419.6 6.4 1 9 2 654.4 4.2 -1 9 2 5.2 0.3 1 11 2 3188.1 28.7 -1 11 2 276.2 2.3 1 13 2 130.1 2.9 -1 13 2 73.4 1.1 1 15 2 214.9 3.5 -1 15 2 52.5 1.5 1 17 2 14.1 0.8 -1 17 2 16.2 1.0 1 19 2 72.9 2.2 -1 19 2 13.8 1.1 1 21 2 79.5 3.5 -1 21 2 202.0 4.9 1 23 2 183.0 4.8 -1 23 2 2.1 0.8 1 25 2 16.8 1.6 -1 25 2 0.8 0.7 1 27 2 37.4 4.3 -1 27 2 1.7 0.9 2 0 2 5539.1 48.6 -2 0 2 9915.6 152.4 2 2 2 6.4 0.3 -2 2 2 28.5 0.6 2 4 2 319.1 2.5 -2 4 2 525.0 4.2 2 6 2 17.9 0.4 -2 6 2 0.4 0.2 2 8 2 29.3 0.5 -2 8 2 1028.6 7.3 2 10 2 611.8 4.5 -2 10 2 1400.9 8.5 2 12 2 264.7 3.5 -2 12 2 4370.7 24.6 2 14 2 17.7 1.9 -2 14 2 43.3 0.9 2 16 2 33.7 1.3 -2 16 2 160.1 2.8 2 18 2 16.9 1.5 -2 18 2 42.8 1.6 2 20 2 123.1 3.1 -2 20 2 85.5 2.4 2 22 2 455.1 8.1 -2 22 2 725.1 10.8 2 24 2 47.4 5.9 -2 24 2 296.3 8.1 2 26 2 10.3 1.6 -2 26 2 75.6 5.5 2 28 2 10.5 1.6 -2 28 2 34.2 4.0 3 1 2 11.0 0.8 -3 1 2 2509.4 16.2 3 3 2 38.4 0.7 -3 3 2 464.4 3.9 3 5 2 13.1 0.4 -3 5 2 294.3 3.5 3 7 2 181.4 3.3 -3 7 2 109.9 1.3 3 9 2 2.8 0.2 -3 9 2 80.0 1.1 3 11 2 182.9 2.3 -3 11 2 2297.3 18.8 3 13 2 146.7 3.4 -3 13 2 1.0 0.2 3 15 2 50.9 1.5 -3 15 2 12.6 0.5 3 17 2 29.0 1.3 -3 17 2 19.7 1.2 3 19 2 0.4 0.7 -3 19 2 95.5 3.5 3 21 2 222.1 4.5 -3 21 2 184.4 4.6 3 23 2 17.8 1.6 -3 23 2 197.4 8.3 3 25 2 2.1 1.2 -3 25 2 1.2 0.7 3 27 2 2.1 0.8 -3 27 2 18.2 2.9 4 0 2 3463.2 26.4 -4 0 2 4339.0 55.8 4 2 2 100.2 1.5 -4 2 2 59.3 0.9 4 4 2 563.5 4.0 -4 4 2 288.9 2.8 4 6 2 63.0 1.6 -4 6 2 -0.3 0.2 4 8 2 107.2 1.4 -4 8 2 393.2 3.2 4 10 2 468.3 4.0 -4 10 2 468.1 3.5 4 12 2 1221.1 9.4 -4 12 2 19.1 0.8 4 14 2 37.5 1.8 -4 14 2 5.8 0.4 4 16 2 1.4 0.5 -4 16 2 43.8 1.2 4 18 2 89.2 2.3 -4 18 2 44.5 2.1 4 20 2 0.3 0.4 -4 20 2 44.7 2.6 4 22 2 335.3 9.3 -4 22 2 209.1 6.7 4 24 2 36.1 2.9 -4 24 2 6.8 1.0 4 26 2 47.3 3.3 -4 26 2 5.2 1.1 -4 28 2 73.2 5.7 5 1 2 3402.4 18.5 -5 1 2 1164.9 6.8 5 3 2 792.3 5.6 -5 3 2 0.8 0.2 5 5 2 176.5 2.9 -5 5 2 42.7 0.8 5 7 2 21.1 0.6 -5 7 2 9.6 0.4 5 9 2 155.9 2.0 -5 9 2 370.8 3.8 5 11 2 3089.2 34.0 -5 11 2 3925.1 25.4 5 13 2 82.6 1.9 -5 13 2 103.1 1.9 5 15 2 102.5 2.2 -5 15 2 178.0 3.2 5 17 2 20.0 1.2 -5 17 2 31.8 1.3 5 19 2 206.0 4.3 -5 19 2 29.6 4.3 5 21 2 75.1 2.6 -5 21 2 169.6 4.6 5 23 2 645.8 10.7 -5 23 2 256.6 6.0 5 25 2 5.6 1.4 -5 25 2 2.3 0.8 -5 27 2 22.8 2.2 6 0 2 1092.8 10.8 -6 0 2 5929.0 105.7 6 2 2 0.6 0.2 -6 2 2 1.6 0.3 6 4 2 19.4 1.1 -6 4 2 643.1 4.3 6 6 2 79.5 1.3 -6 6 2 0.3 0.1 6 8 2 0.6 0.2 -6 8 2 284.4 2.5 6 10 2 372.8 4.1 -6 10 2 741.6 6.1 6 12 2 90.3 2.0 -6 12 2 622.4 6.2 6 14 2 4.2 0.5 -6 14 2 0.3 0.3 6 16 2 19.5 1.0 -6 16 2 140.1 2.8 6 18 2 0.5 0.4 -6 18 2 7.8 0.7 6 20 2 1.1 0.5 -6 20 2 250.0 5.7 6 22 2 214.5 6.7 -6 22 2 585.2 18.5 6 24 2 1.1 0.5 -6 24 2 87.7 4.2 -6 26 2 41.1 3.0 7 1 2 1.7 0.3 -7 1 2 2.1 0.2 7 3 2 171.3 2.3 -7 3 2 105.6 1.6 7 5 2 33.0 0.9 -7 5 2 84.5 1.5 7 7 2 55.3 1.3 -7 7 2 84.0 2.5 7 9 2 -0.1 0.2 -7 9 2 23.0 0.8 7 11 2 262.4 3.7 -7 11 2 58.6 1.3 7 13 2 6.0 0.7 -7 13 2 62.4 1.6 7 15 2 5.6 0.7 -7 15 2 49.0 2.1 7 17 2 15.4 1.6 -7 17 2 1.0 0.4 7 19 2 11.7 1.0 -7 19 2 2.3 0.4 7 21 2 194.6 7.2 -7 21 2 204.9 5.3 7 23 2 3.2 0.9 -7 23 2 29.0 2.2 -7 25 2 3.1 0.9 8 0 2 1942.5 20.3 -8 0 2 9.3 0.6 8 2 2 2.2 0.4 -8 2 2 0.7 0.2 8 4 2 186.9 3.2 -8 4 2 397.4 3.4 8 6 2 48.1 1.2 -8 6 2 72.0 1.2 8 8 2 47.3 1.4 -8 8 2 10.9 0.6 8 10 2 225.6 3.3 -8 10 2 181.8 3.5 8 12 2 151.8 2.9 -8 12 2 1.3 0.4 8 14 2 1.0 0.6 -8 14 2 38.9 1.5 8 16 2 25.4 1.2 -8 16 2 11.7 0.9 8 18 2 41.1 2.0 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