data_tolb4383 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'As F Mg2 O4' _chemical_formula_weight 206.54 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'As' 'As' 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg' 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 9.8638(3) _cell_length_b 12.9830(3) _cell_length_c 12.3284(3) _cell_angle_alpha 90.00 _cell_angle_beta 109.291(3) _cell_angle_gamma 90.00 _cell_volume 1490.15(7) _cell_formula_units_Z 16 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 3.683 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1568 _exptl_absorpt_coefficient_mu 9.375 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24837 _diffrn_reflns_av_R_equivalents 0.0543 _diffrn_reflns_av_sigmaI/netI 0.0334 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 2.69 _diffrn_reflns_theta_max 28.28 _reflns_number_total 3696 _reflns_number_gt 2554 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0102P)^2^+4.7275P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00029(3) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3696 _refine_ls_number_parameters 285 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0783 _refine_ls_R_factor_gt 0.0485 _refine_ls_wR_factor_ref 0.0694 _refine_ls_wR_factor_gt 0.0615 _refine_ls_goodness_of_fit_ref 1.138 _refine_ls_restrained_S_all 1.138 _refine_ls_shift/su_max 0.001 _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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group As1 As 0.11375(6) 0.07510(5) 0.42636(5) 0.00441(14) Uani 1 1 d . . . As2 As 0.87998(6) 0.07035(5) 0.07600(5) 0.00491(14) Uani 1 1 d . . . As3 As 0.38374(6) 0.17752(5) 0.07630(5) 0.00394(14) Uani 1 1 d . . . As4 As 0.62083(6) 0.17912(5) 0.42463(5) 0.00366(14) Uani 1 1 d . . . Mg1 Mg 0.5446(2) 0.06925(16) 0.91088(16) 0.0054(4) Uani 1 1 d . . . Mg2 Mg 0.4733(2) 0.06726(16) 0.60219(16) 0.0064(4) Uani 1 1 d . . . Mg3 Mg 0.0408(2) 0.18451(16) 0.91921(16) 0.0044(4) Uani 1 1 d . . . Mg4 Mg 0.9739(2) 0.18007(16) 0.61160(16) 0.0060(4) Uani 1 1 d . . . Mg5 Mg 0.1964(2) 0.01925(16) 0.19150(16) 0.0055(4) Uani 1 1 d . . . Mg6 Mg 0.7806(2) 0.00347(15) 0.30548(16) 0.0055(4) Uani 1 1 d . . . Mg7 Mg 0.3000(2) 0.23150(16) 0.31362(16) 0.0058(4) Uani 1 1 d . . . Mg8 Mg 0.7153(2) 0.24569(16) 0.19503(16) 0.0065(4) Uani 1 1 d . . . F1 F 0.4251(3) 0.0434(3) 0.7528(3) 0.0101(7) Uani 1 1 d . . . F2 F 0.6779(3) 0.0831(3) 0.7124(3) 0.0114(7) Uani 1 1 d . . . F3 F 0.1802(3) 0.1616(3) 0.7199(3) 0.0129(7) Uani 1 1 d . . . F4 F 0.9219(3) 0.2085(2) 0.7583(3) 0.0096(7) Uani 1 1 d . . . O1 O 0.1753(4) 0.1106(3) 0.3191(3) 0.0073(8) Uani 1 1 d . . . O2 O 0.7934(4) 0.0917(3) 0.1687(3) 0.0067(8) Uani 1 1 d . . . O3 O 0.3177(4) 0.1434(3) 0.1796(3) 0.0085(9) Uani 1 1 d . . . O4 O 0.6961(4) 0.1530(3) 0.3246(3) 0.0091(9) Uani 1 1 d . . . O5 O 0.2514(4) 0.0424(3) 0.5417(3) 0.0097(9) Uani 1 1 d . . . O6 O 0.7585(4) 0.0524(3) 0.9452(3) 0.0100(9) Uani 1 1 d . . . O7 O 0.2520(4) 0.2073(3) 0.9523(3) 0.0078(9) Uani 1 1 d . . . O8 O 0.7509(4) 0.2081(3) 0.5489(3) 0.0063(9) Uani 1 1 d . . . O9 O 0.9984(4) 0.0232(3) 0.6220(3) 0.0087(9) Uani 1 1 d . . . O10 O 0.0119(4) 0.0327(3) 0.8835(3) 0.0064(8) Uiso 1 1 d . . . O11 O 0.4969(4) 0.2233(3) 0.6219(3) 0.0063(8) Uani 1 1 d . . . O12 O 0.5066(4) 0.2194(3) 0.8786(3) 0.0069(9) Uani 1 1 d . . . O13 O 0.4757(4) 0.0801(3) 0.0476(3) 0.0096(9) Uani 1 1 d . . . O14 O 0.5115(4) 0.0854(3) 0.4407(3) 0.0089(9) Uani 1 1 d . . . O15 O 0.0185(4) 0.1701(3) 0.4585(3) 0.0073(8) Uani 1 1 d . . . O16 O 0.9935(4) 0.1653(3) 0.0697(3) 0.0060(8) 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 As1 0.0051(3) 0.0038(3) 0.0047(3) -0.0002(2) 0.0022(2) -0.0012(2) As2 0.0053(3) 0.0052(3) 0.0048(3) -0.0003(2) 0.0024(2) 0.0010(2) As3 0.0044(3) 0.0032(3) 0.0043(3) 0.0000(2) 0.0015(2) 0.0008(2) As4 0.0035(3) 0.0040(3) 0.0036(3) 0.0000(2) 0.0014(2) -0.0012(2) Mg1 0.0040(9) 0.0058(10) 0.0057(9) 0.0008(7) 0.0006(7) 0.0001(8) Mg2 0.0061(10) 0.0059(10) 0.0066(9) -0.0010(8) 0.0012(8) 0.0007(8) Mg3 0.0059(9) 0.0043(10) 0.0037(9) 0.0000(7) 0.0024(7) -0.0001(8) Mg4 0.0069(9) 0.0053(10) 0.0067(9) -0.0005(8) 0.0037(8) 0.0015(8) Mg5 0.0056(9) 0.0061(10) 0.0058(9) -0.0018(8) 0.0032(8) -0.0023(8) Mg6 0.0054(9) 0.0064(10) 0.0054(9) 0.0005(7) 0.0029(8) -0.0003(8) Mg7 0.0061(10) 0.0058(10) 0.0045(9) 0.0001(7) 0.0004(8) 0.0012(8) Mg8 0.0047(10) 0.0099(10) 0.0038(10) 0.0014(8) 0.0000(8) -0.0018(8) F1 0.0114(17) 0.0121(18) 0.0049(15) 0.0003(13) 0.0002(13) -0.0005(14) F2 0.0100(16) 0.0113(18) 0.0132(17) 0.0020(14) 0.0043(14) -0.0006(14) F3 0.0093(17) 0.0137(19) 0.0122(17) -0.0047(14) -0.0011(14) -0.0032(14) F4 0.0106(17) 0.0078(17) 0.0084(16) 0.0005(13) 0.0007(13) 0.0032(14) O1 0.009(2) 0.006(2) 0.010(2) -0.0030(16) 0.0073(17) -0.0043(17) O2 0.008(2) 0.009(2) 0.0074(19) -0.0006(16) 0.0075(16) 0.0000(16) O3 0.013(2) 0.008(2) 0.0057(19) 0.0012(16) 0.0042(17) -0.0002(17) O4 0.013(2) 0.010(2) 0.006(2) 0.0000(16) 0.0048(17) -0.0002(17) O5 0.009(2) 0.016(2) 0.0045(19) -0.0004(17) 0.0025(17) -0.0021(18) O6 0.008(2) 0.012(2) 0.009(2) -0.0017(17) 0.0014(17) 0.0017(17) O7 0.009(2) 0.009(2) 0.0040(19) 0.0041(16) 0.0000(17) 0.0017(17) O8 0.0041(19) 0.010(2) 0.0038(18) -0.0051(16) -0.0007(16) -0.0022(16) O9 0.010(2) 0.005(2) 0.012(2) -0.0023(16) 0.0053(17) -0.0009(17) O11 0.0051(19) 0.0035(19) 0.0074(19) 0.0018(15) -0.0019(16) 0.0018(15) O12 0.008(2) 0.006(2) 0.0042(18) -0.0001(15) -0.0009(15) -0.0015(16) O13 0.011(2) 0.008(2) 0.010(2) 0.0019(17) 0.0044(17) 0.0007(18) O14 0.010(2) 0.008(2) 0.011(2) 0.0002(17) 0.0070(17) 0.0010(18) O15 0.011(2) 0.005(2) 0.0076(19) 0.0002(16) 0.0052(16) 0.0032(17) O16 0.0050(19) 0.005(2) 0.0083(19) -0.0018(16) 0.0030(16) -0.0045(16) _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 As1 O5 1.664(4) . ? As1 O9 1.666(4) 3_656 ? As1 O15 1.676(4) . ? As1 O1 1.692(4) . ? As1 Mg3 3.197(2) 4_565 ? As1 Mg6 3.263(2) 1_455 ? As1 Mg6 3.283(2) 3_656 ? As2 O2 1.661(4) . ? As2 O6 1.677(4) 1_554 ? As2 O10 1.680(4) 3_656 ? As2 O16 1.685(4) . ? As2 Mg5 3.045(2) 1_655 ? As2 Mg3 3.2369(19) 1_654 ? As2 Mg1 3.262(2) 1_554 ? As3 O13 1.661(4) . ? As3 O3 1.671(4) . ? As3 O11 1.675(4) 4_565 ? As3 O7 1.692(4) 1_554 ? As3 Mg8 3.234(2) . ? As3 Mg1 3.273(2) 3_656 ? As3 Mg1 3.285(2) 1_554 ? As3 Mg7 3.286(2) 4_565 ? As3 Mg3 3.297(2) 1_554 ? As4 O4 1.670(4) . ? As4 O14 1.681(4) . ? As4 O8 1.684(4) . ? As4 O12 1.705(4) 4_565 ? As4 Mg7 3.081(2) . ? As4 Mg8 3.299(2) 4_566 ? Mg1 F1 1.945(4) . ? Mg1 O12 2.000(5) . ? Mg1 O13 2.020(4) 1_556 ? Mg1 O6 2.022(4) . ? Mg1 O13 2.032(5) 3_656 ? Mg1 Mg1 3.180(4) 3_657 ? Mg1 As2 3.262(2) 1_556 ? Mg1 As3 3.273(2) 3_656 ? Mg1 As3 3.285(2) 1_556 ? Mg1 Mg5 3.402(3) 3_656 ? Mg1 Mg7 3.470(3) 4_566 ? Mg1 Mg6 3.556(3) 3_656 ? Mg2 F2 2.037(4) . ? Mg2 O11 2.045(5) . ? Mg2 O14 2.069(5) 3_656 ? Mg2 F1 2.086(4) . ? Mg2 O5 2.092(4) . ? Mg2 O14 2.158(4) . ? Mg2 Mg6 3.209(3) 3_656 ? Mg2 Mg2 3.249(4) 3_656 ? Mg2 Mg8 3.332(3) 4_566 ? Mg2 Mg5 3.588(3) 3_656 ? Mg3 F4 1.967(4) 1_455 ? Mg3 O15 1.979(5) 4_566 ? Mg3 O7 2.008(4) . ? Mg3 O10 2.019(5) . ? Mg3 O16 2.072(4) 1_456 ? Mg3 Mg4 3.192(3) 4_466 ? Mg3 As1 3.197(2) 4_566 ? Mg3 As2 3.2369(19) 1_456 ? Mg3 As3 3.297(2) 1_556 ? Mg3 Mg7 3.408(3) 4_566 ? Mg3 Mg5 3.497(3) 3_556 ? Mg3 Mg8 3.593(3) 4_466 ? Mg4 F3 2.046(4) 1_655 ? Mg4 O9 2.049(5) . ? Mg4 F4 2.070(4) . ? Mg4 O15 2.079(4) 1_655 ? Mg4 O16 2.097(5) 4_566 ? Mg4 O8 2.108(4) . ? Mg4 Mg3 3.192(3) 4_665 ? Mg4 Mg8 3.198(3) 4_566 ? Mg4 Mg6 3.309(3) 3_756 ? Mg4 Mg7 3.546(3) 4_666 ? Mg4 Mg3 3.629(3) 1_655 ? Mg5 F2 1.933(4) 3_656 ? Mg5 O1 2.034(4) . ? Mg5 O3 2.041(4) . ? Mg5 O10 2.068(4) 3_556 ? Mg5 O6 2.098(4) 3_656 ? Mg5 As2 3.045(2) 1_455 ? Mg5 Mg7 3.144(2) . ? Mg5 Mg1 3.402(3) 3_656 ? Mg5 Mg3 3.497(3) 3_556 ? Mg5 Mg2 3.588(3) 3_656 ? Mg6 F1 2.010(4) 3_656 ? Mg6 O2 2.076(4) . ? Mg6 O9 2.093(4) 3_756 ? Mg6 O5 2.097(4) 3_656 ? Mg6 O4 2.156(5) . ? Mg6 F3 2.217(4) 3_656 ? Mg6 Mg2 3.209(3) 3_656 ? Mg6 As1 3.263(2) 1_655 ? Mg6 As1 3.283(2) 3_656 ? Mg6 Mg4 3.309(3) 3_756 ? Mg6 Mg8 3.403(2) . ? Mg6 Mg1 3.556(3) 3_656 ? Mg7 F3 1.938(4) 4_565 ? Mg7 O1 2.009(4) . ? Mg7 O12 2.030(4) 4_565 ? Mg7 O3 2.064(4) . ? Mg7 O7 2.077(4) 4_565 ? Mg7 As3 3.286(2) 4_566 ? Mg7 Mg3 3.408(3) 4_565 ? Mg7 Mg1 3.470(3) 4_565 ? Mg7 Mg4 3.546(3) 4_465 ? Mg8 F4 2.016(4) 4_565 ? Mg8 O8 2.037(4) 4_565 ? Mg8 O4 2.059(4) . ? Mg8 O11 2.082(4) 4_565 ? Mg8 O2 2.205(4) . ? Mg8 F2 2.275(4) 4_565 ? Mg8 Mg4 3.198(3) 4_565 ? Mg8 As4 3.299(2) 4_565 ? Mg8 Mg2 3.332(3) 4_565 ? Mg8 Mg3 3.593(3) 4_665 ? F1 Mg6 2.010(4) 3_656 ? F2 Mg5 1.933(4) 3_656 ? F2 Mg8 2.275(4) 4_566 ? F3 Mg7 1.938(4) 4_566 ? F3 Mg4 2.046(4) 1_455 ? F3 Mg6 2.217(4) 3_656 ? F4 Mg3 1.967(4) 1_655 ? F4 Mg8 2.016(4) 4_566 ? O5 Mg6 2.097(4) 3_656 ? O6 As2 1.677(4) 1_556 ? O6 Mg5 2.098(4) 3_656 ? O7 As3 1.692(4) 1_556 ? O7 Mg7 2.077(4) 4_566 ? O8 Mg8 2.037(4) 4_566 ? O9 As1 1.666(4) 3_656 ? O9 Mg6 2.093(4) 3_756 ? O10 As2 1.680(4) 3_656 ? O10 Mg5 2.068(4) 3_556 ? O11 As3 1.675(4) 4_566 ? O11 Mg8 2.082(4) 4_566 ? O12 As4 1.705(4) 4_566 ? O12 Mg7 2.030(4) 4_566 ? O13 Mg1 2.020(4) 1_554 ? O13 Mg1 2.032(5) 3_656 ? O14 Mg2 2.069(5) 3_656 ? O15 Mg3 1.979(5) 4_565 ? O15 Mg4 2.079(4) 1_455 ? O16 Mg3 2.072(4) 1_654 ? O16 Mg4 2.097(5) 4_565 ? 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 O5 As1 O9 111.6(2) . 3_656 ? O5 As1 O15 110.4(2) . . ? O9 As1 O15 106.9(2) 3_656 . ? O5 As1 O1 109.6(2) . . ? O9 As1 O1 107.25(19) 3_656 . ? O15 As1 O1 111.04(19) . . ? O5 As1 Mg3 112.65(16) . 4_565 ? O9 As1 Mg3 128.44(15) 3_656 4_565 ? O15 As1 Mg3 31.73(14) . 4_565 ? O1 As1 Mg3 81.28(14) . 4_565 ? O5 As1 Mg6 137.02(15) . 1_455 ? O9 As1 Mg6 33.73(15) 3_656 1_455 ? O15 As1 Mg6 76.05(14) . 1_455 ? O1 As1 Mg6 106.74(14) . 1_455 ? Mg3 As1 Mg6 94.72(5) 4_565 1_455 ? O5 As1 Mg6 33.12(14) . 3_656 ? O9 As1 Mg6 94.27(14) 3_656 3_656 ? O15 As1 Mg6 90.38(14) . 3_656 ? O1 As1 Mg6 142.70(15) . 3_656 ? Mg3 As1 Mg6 108.95(5) 4_565 3_656 ? Mg6 As1 Mg6 107.94(4) 1_455 3_656 ? O2 As2 O6 108.56(19) . 1_554 ? O2 As2 O10 110.4(2) . 3_656 ? O6 As2 O10 110.9(2) 1_554 3_656 ? O2 As2 O16 114.25(19) . . ? O6 As2 O16 109.4(2) 1_554 . ? O10 As2 O16 103.30(19) 3_656 . ? O2 As2 Mg5 113.29(14) . 1_655 ? O6 As2 Mg5 135.68(15) 1_554 1_655 ? O10 As2 Mg5 40.17(14) 3_656 1_655 ? O16 As2 Mg5 65.60(14) . 1_655 ? O2 As2 Mg3 143.11(15) . 1_654 ? O6 As2 Mg3 79.92(15) 1_554 1_654 ? O10 As2 Mg3 98.84(13) 3_656 1_654 ? O16 As2 Mg3 34.18(13) . 1_654 ? Mg5 As2 Mg3 75.53(5) 1_655 1_654 ? O2 As2 Mg1 77.52(14) . 1_554 ? O6 As2 Mg1 31.17(14) 1_554 1_554 ? O10 As2 Mg1 126.52(14) 3_656 1_554 ? O16 As2 Mg1 121.80(14) . 1_554 ? Mg5 As2 Mg1 164.25(6) 1_655 1_554 ? Mg3 As2 Mg1 103.03(5) 1_654 1_554 ? O13 As3 O3 109.7(2) . . ? O13 As3 O11 107.9(2) . 4_565 ? O3 As3 O11 109.4(2) . 4_565 ? O13 As3 O7 107.0(2) . 1_554 ? O3 As3 O7 111.9(2) . 1_554 ? O11 As3 O7 110.8(2) 4_565 1_554 ? O13 As3 Mg8 76.31(15) . . ? O3 As3 Mg8 108.57(15) . . ? O11 As3 Mg8 34.47(14) 4_565 . ? O7 As3 Mg8 134.93(15) 1_554 . ? O13 As3 Mg1 30.74(14) . 3_656 ? O3 As3 Mg1 80.55(14) . 3_656 ? O11 As3 Mg1 128.83(14) 4_565 3_656 ? O7 As3 Mg1 110.90(15) 1_554 3_656 ? Mg8 As3 Mg1 94.36(5) . 3_656 ? O13 As3 Mg1 29.82(14) . 1_554 ? O3 As3 Mg1 138.56(15) . 1_554 ? O11 As3 Mg1 97.63(14) 4_565 1_554 ? O7 As3 Mg1 85.48(14) 1_554 1_554 ? Mg8 As3 Mg1 76.97(5) . 1_554 ? Mg1 As3 Mg1 58.01(6) 3_656 1_554 ? O13 As3 Mg7 92.36(14) . 4_565 ? O3 As3 Mg7 144.31(15) . 4_565 ? O11 As3 Mg7 88.71(14) 4_565 4_565 ? O7 As3 Mg7 32.79(14) 1_554 4_565 ? Mg8 As3 Mg7 103.60(5) . 4_565 ? Mg1 As3 Mg7 112.30(5) 3_656 4_565 ? Mg1 As3 Mg7 63.75(5) 1_554 4_565 ? O13 As3 Mg3 114.97(15) . 1_554 ? O3 As3 Mg3 82.66(15) . 1_554 ? O11 As3 Mg3 128.06(14) 4_565 1_554 ? O7 As3 Mg3 29.59(14) 1_554 1_554 ? Mg8 As3 Mg3 161.10(5) . 1_554 ? Mg1 As3 Mg3 102.63(5) 3_656 1_554 ? Mg1 As3 Mg3 105.03(5) 1_554 1_554 ? Mg7 As3 Mg3 62.36(5) 4_565 1_554 ? O4 As4 O14 113.50(19) . . ? O4 As4 O8 109.03(19) . . ? O14 As4 O8 112.34(19) . . ? O4 As4 O12 108.5(2) . 4_565 ? O14 As4 O12 102.7(2) . 4_565 ? O8 As4 O12 110.6(2) . 4_565 ? O4 As4 Mg7 111.02(15) . . ? O14 As4 Mg7 66.87(15) . . ? O8 As4 Mg7 135.81(14) . . ? O12 As4 Mg7 38.03(14) 4_565 . ? O4 As4 Mg8 139.45(15) . 4_566 ? O14 As4 Mg8 94.21(14) . 4_566 ? O8 As4 Mg8 30.53(14) . 4_566 ? O12 As4 Mg8 92.46(13) 4_565 4_566 ? Mg7 As4 Mg8 106.82(5) . 4_566 ? F1 Mg1 O12 87.53(16) . . ? F1 Mg1 O13 126.07(18) . 1_556 ? O12 Mg1 O13 90.34(18) . 1_556 ? F1 Mg1 O6 115.85(17) . . ? O12 Mg1 O6 105.15(19) . . ? O13 Mg1 O6 116.63(18) 1_556 . ? F1 Mg1 O13 90.58(17) . 3_656 ? O12 Mg1 O13 162.28(19) . 3_656 ? O13 Mg1 O13 76.58(19) 1_556 3_656 ? O6 Mg1 O13 91.52(19) . 3_656 ? F1 Mg1 Mg1 112.36(14) . 3_657 ? O12 Mg1 Mg1 127.75(16) . 3_657 ? O13 Mg1 Mg1 38.42(13) 1_556 3_657 ? O6 Mg1 Mg1 107.56(16) . 3_657 ? O13 Mg1 Mg1 38.16(12) 3_656 3_657 ? F1 Mg1 As2 141.26(13) . 1_556 ? O12 Mg1 As2 101.83(13) . 1_556 ? O13 Mg1 As2 91.74(13) 1_556 1_556 ? O6 Mg1 As2 25.41(11) . 1_556 ? O13 Mg1 As2 90.62(13) 3_656 1_556 ? Mg1 Mg1 As2 91.51(8) 3_657 1_556 ? F1 Mg1 As3 85.93(12) . 3_656 ? O12 Mg1 As3 170.67(14) . 3_656 ? O13 Mg1 As3 98.89(14) 1_556 3_656 ? O6 Mg1 As3 71.95(14) . 3_656 ? O13 Mg1 As3 24.71(11) 3_656 3_656 ? Mg1 Mg1 As3 61.17(7) 3_657 3_656 ? As2 Mg1 As3 79.39(5) 1_556 3_656 ? F1 Mg1 As3 116.05(12) . 1_556 ? O12 Mg1 As3 67.01(12) . 1_556 ? O13 Mg1 As3 24.14(12) 1_556 1_556 ? O6 Mg1 As3 126.93(14) . 1_556 ? O13 Mg1 As3 98.29(13) 3_656 1_556 ? Mg1 Mg1 As3 60.82(6) 3_657 1_556 ? As2 Mg1 As3 102.06(5) 1_556 1_556 ? As3 Mg1 As3 121.99(6) 3_656 1_556 ? F1 Mg1 Mg5 81.40(12) . 3_656 ? O12 Mg1 Mg5 111.70(14) . 3_656 ? O13 Mg1 Mg5 146.53(15) 1_556 3_656 ? O6 Mg1 Mg5 35.06(12) . 3_656 ? O13 Mg1 Mg5 85.39(13) 3_656 3_656 ? Mg1 Mg1 Mg5 118.59(10) 3_657 3_656 ? As2 Mg1 Mg5 60.12(5) 1_556 3_656 ? As3 Mg1 Mg5 60.70(5) 3_656 3_656 ? As3 Mg1 Mg5 161.97(7) 1_556 3_656 ? F1 Mg1 Mg7 70.16(12) . 4_566 ? O12 Mg1 Mg7 30.83(12) . 4_566 ? O13 Mg1 Mg7 81.33(13) 1_556 4_566 ? O6 Mg1 Mg7 135.35(16) . 4_566 ? O13 Mg1 Mg7 133.11(14) 3_656 4_566 ? Mg1 Mg1 Mg7 109.93(9) 3_657 4_566 ? As2 Mg1 Mg7 131.19(7) 1_556 4_566 ? As3 Mg1 Mg7 149.41(7) 3_656 4_566 ? As3 Mg1 Mg7 58.14(5) 1_556 4_566 ? Mg5 Mg1 Mg7 130.19(7) 3_656 4_566 ? F1 Mg1 Mg6 26.44(10) . 3_656 ? O12 Mg1 Mg6 92.63(13) . 3_656 ? O13 Mg1 Mg6 100.11(14) 1_556 3_656 ? O6 Mg1 Mg6 138.48(14) . 3_656 ? O13 Mg1 Mg6 78.24(13) 3_656 3_656 ? Mg1 Mg1 Mg6 88.93(8) 3_657 3_656 ? As2 Mg1 Mg6 161.26(7) 1_556 3_656 ? As3 Mg1 Mg6 84.45(6) 3_656 3_656 ? As3 Mg1 Mg6 94.49(6) 1_556 3_656 ? Mg5 Mg1 Mg6 103.54(7) 3_656 3_656 ? Mg7 Mg1 Mg6 65.59(6) 4_566 3_656 ? F2 Mg2 O11 76.81(16) . . ? F2 Mg2 O14 97.34(17) . 3_656 ? O11 Mg2 O14 164.66(18) . 3_656 ? F2 Mg2 F1 83.56(14) . . ? O11 Mg2 F1 95.26(16) . . ? O14 Mg2 F1 98.17(16) 3_656 . ? F2 Mg2 O5 160.56(17) . . ? O11 Mg2 O5 105.05(18) . . ? O14 Mg2 O5 85.23(18) 3_656 . ? F1 Mg2 O5 77.01(15) . . ? F2 Mg2 O14 99.69(16) . . ? O11 Mg2 O14 87.38(17) . . ? O14 Mg2 O14 79.57(18) 3_656 . ? F1 Mg2 O14 176.23(18) . . ? O5 Mg2 O14 99.72(17) . . ? F2 Mg2 Mg6 120.63(12) . 3_656 ? O11 Mg2 Mg6 108.22(13) . 3_656 ? O14 Mg2 Mg6 87.00(13) 3_656 3_656 ? F1 Mg2 Mg6 37.61(10) . 3_656 ? O5 Mg2 Mg6 40.06(12) . 3_656 ? O14 Mg2 Mg6 138.85(14) . 3_656 ? F2 Mg2 Mg2 101.14(13) . 3_656 ? O11 Mg2 Mg2 125.72(15) . 3_656 ? O14 Mg2 Mg2 40.79(12) 3_656 3_656 ? F1 Mg2 Mg2 138.88(15) . 3_656 ? O5 Mg2 Mg2 93.39(14) . 3_656 ? O14 Mg2 Mg2 38.78(12) . 3_656 ? Mg6 Mg2 Mg2 117.83(10) 3_656 3_656 ? F2 Mg2 Mg8 42.07(11) . 4_566 ? O11 Mg2 Mg8 36.54(12) . 4_566 ? O14 Mg2 Mg8 132.97(14) 3_656 4_566 ? F1 Mg2 Mg8 98.66(12) . 4_566 ? O5 Mg2 Mg8 141.42(15) . 4_566 ? O14 Mg2 Mg8 85.07(13) . 4_566 ? Mg6 Mg2 Mg8 129.89(8) 3_656 4_566 ? Mg2 Mg2 Mg8 112.15(9) 3_656 4_566 ? F2 Mg2 Mg5 24.66(10) . 3_656 ? O11 Mg2 Mg5 100.66(13) . 3_656 ? O14 Mg2 Mg5 75.86(13) 3_656 3_656 ? F1 Mg2 Mg5 75.11(11) . 3_656 ? O5 Mg2 Mg5 143.42(14) . 3_656 ? O14 Mg2 Mg5 107.09(13) . 3_656 ? Mg6 Mg2 Mg5 106.95(7) 3_656 3_656 ? Mg2 Mg2 Mg5 92.27(8) 3_656 3_656 ? Mg8 Mg2 Mg5 66.72(6) 4_566 3_656 ? F2 Mg2 Mg1 59.62(11) . . ? O11 Mg2 Mg1 83.87(12) . . ? O14 Mg2 Mg1 105.61(13) 3_656 . ? F1 Mg2 Mg1 24.68(9) . . ? O5 Mg2 Mg1 101.08(12) . . ? O14 Mg2 Mg1 158.90(14) . . ? Mg6 Mg2 Mg1 62.24(6) 3_656 . ? Mg2 Mg2 Mg1 142.29(10) 3_656 . ? Mg8 Mg2 Mg1 76.49(6) 4_566 . ? Mg5 Mg2 Mg1 56.20(5) 3_656 . ? F4 Mg3 O15 91.03(17) 1_455 4_566 ? F4 Mg3 O7 114.51(17) 1_455 . ? O15 Mg3 O7 90.10(18) 4_566 . ? F4 Mg3 O10 86.61(16) 1_455 . ? O15 Mg3 O10 164.84(19) 4_566 . ? O7 Mg3 O10 104.52(18) . . ? F4 Mg3 O16 133.30(17) 1_455 1_456 ? O15 Mg3 O16 79.58(17) 4_566 1_456 ? O7 Mg3 O16 111.17(17) . 1_456 ? O10 Mg3 O16 91.16(17) . 1_456 ? F4 Mg3 Mg4 117.44(13) 1_455 4_466 ? O15 Mg3 Mg4 39.24(12) 4_566 4_466 ? O7 Mg3 Mg4 102.89(14) . 4_466 ? O10 Mg3 Mg4 130.58(14) . 4_466 ? O16 Mg3 Mg4 40.34(12) 1_456 4_466 ? F4 Mg3 As1 85.81(12) 1_455 4_566 ? O15 Mg3 As1 26.44(11) 4_566 4_566 ? O7 Mg3 As1 69.00(13) . 4_566 ? O10 Mg3 As1 166.69(13) . 4_566 ? O16 Mg3 As1 101.99(13) 1_456 4_566 ? Mg4 Mg3 As1 62.73(6) 4_466 4_566 ? F4 Mg3 As2 115.33(12) 1_455 1_456 ? O15 Mg3 As2 100.03(13) 4_566 1_456 ? O7 Mg3 As2 128.79(13) . 1_456 ? O10 Mg3 As2 67.75(12) . 1_456 ? O16 Mg3 As2 27.18(11) 1_456 1_456 ? Mg4 Mg3 As2 62.99(5) 4_466 1_456 ? As1 Mg3 As2 125.50(6) 4_566 1_456 ? F4 Mg3 As3 138.68(13) 1_455 1_556 ? O15 Mg3 As3 93.34(13) 4_566 1_556 ? O7 Mg3 As3 24.58(11) . 1_556 ? O10 Mg3 As3 98.32(13) . 1_556 ? O16 Mg3 As3 87.80(12) 1_456 1_556 ? Mg4 Mg3 As3 90.15(6) 4_466 1_556 ? As1 Mg3 As3 80.38(5) 4_566 1_556 ? As2 Mg3 As3 104.29(5) 1_456 1_556 ? F4 Mg3 Mg7 80.62(12) 1_455 4_566 ? O15 Mg3 Mg7 86.95(13) 4_566 4_566 ? O7 Mg3 Mg7 34.09(11) . 4_566 ? O10 Mg3 Mg7 107.39(13) . 4_566 ? O16 Mg3 Mg7 143.09(14) 1_456 4_566 ? Mg4 Mg3 Mg7 118.23(8) 4_466 4_566 ? As1 Mg3 Mg7 60.53(5) 4_566 4_566 ? As2 Mg3 Mg7 162.19(7) 1_456 4_566 ? As3 Mg3 Mg7 58.66(5) 1_556 4_566 ? F4 Mg3 Mg5 68.10(11) 1_455 3_556 ? O15 Mg3 Mg5 134.65(14) 4_566 3_556 ? O7 Mg3 Mg5 134.95(15) . 3_556 ? O10 Mg3 Mg5 31.60(12) . 3_556 ? O16 Mg3 Mg5 86.50(13) 1_456 3_556 ? Mg4 Mg3 Mg5 115.51(7) 4_466 3_556 ? As1 Mg3 Mg5 149.84(7) 4_566 3_556 ? As2 Mg3 Mg5 59.33(5) 1_456 3_556 ? As3 Mg3 Mg5 129.26(7) 1_556 3_556 ? Mg7 Mg3 Mg5 125.63(7) 4_566 3_556 ? F4 Mg3 Mg8 25.92(10) 1_455 4_466 ? O15 Mg3 Mg8 78.70(13) 4_566 4_466 ? O7 Mg3 Mg8 136.28(13) . 4_466 ? O10 Mg3 Mg8 93.02(13) . 4_466 ? O16 Mg3 Mg8 108.10(13) 1_456 4_466 ? Mg4 Mg3 Mg8 94.64(7) 4_466 4_466 ? As1 Mg3 Mg8 84.88(6) 4_566 4_466 ? As2 Mg3 Mg8 94.88(6) 1_456 4_466 ? As3 Mg3 Mg8 160.31(7) 1_556 4_466 ? Mg7 Mg3 Mg8 102.59(7) 4_566 4_466 ? Mg5 Mg3 Mg8 65.02(6) 3_556 4_466 ? F3 Mg4 O9 76.76(16) 1_655 . ? F3 Mg4 F4 86.05(15) 1_655 . ? O9 Mg4 F4 100.43(16) . . ? F3 Mg4 O15 97.01(17) 1_655 1_655 ? O9 Mg4 O15 86.49(17) . 1_655 ? F4 Mg4 O15 172.94(18) . 1_655 ? F3 Mg4 O16 96.91(16) 1_655 4_566 ? O9 Mg4 O16 161.35(18) . 4_566 ? F4 Mg4 O16 96.56(16) . 4_566 ? O15 Mg4 O16 76.79(17) 1_655 4_566 ? F3 Mg4 O8 162.16(17) 1_655 . ? O9 Mg4 O8 106.35(18) . . ? F4 Mg4 O8 76.11(14) . . ? O15 Mg4 O8 100.70(17) 1_655 . ? O16 Mg4 O8 85.12(17) 4_566 . ? F3 Mg4 Mg3 98.29(12) 1_655 4_665 ? O9 Mg4 Mg3 122.99(14) . 4_665 ? F4 Mg4 Mg3 136.30(13) . 4_665 ? O15 Mg4 Mg3 37.04(12) 1_655 4_665 ? O16 Mg4 Mg3 39.75(11) 4_566 4_665 ? O8 Mg4 Mg3 94.56(13) . 4_665 ? F3 Mg4 Mg8 123.55(13) 1_655 4_566 ? O9 Mg4 Mg8 111.70(14) . 4_566 ? F4 Mg4 Mg8 37.89(10) . 4_566 ? O15 Mg4 Mg8 137.84(14) 1_655 4_566 ? O16 Mg4 Mg8 86.52(12) 4_566 4_566 ? O8 Mg4 Mg8 38.70(11) . 4_566 ? Mg3 Mg4 Mg8 117.12(8) 4_665 4_566 ? F3 Mg4 Mg6 41.00(11) 1_655 3_756 ? O9 Mg4 Mg6 37.44(12) . 3_756 ? F4 Mg4 Mg6 103.06(12) . 3_756 ? O15 Mg4 Mg6 83.28(13) 1_655 3_756 ? O16 Mg4 Mg6 130.35(13) 4_566 3_756 ? O8 Mg4 Mg6 143.68(15) . 3_756 ? Mg3 Mg4 Mg6 108.44(7) 4_665 3_756 ? Mg8 Mg4 Mg6 134.24(8) 4_566 3_756 ? F3 Mg4 Mg7 26.35(10) 1_655 4_666 ? O9 Mg4 Mg7 102.52(13) . 4_666 ? F4 Mg4 Mg7 75.98(11) . 4_666 ? O15 Mg4 Mg7 104.06(13) 1_655 4_666 ? O16 Mg4 Mg7 74.16(12) 4_566 4_666 ? O8 Mg4 Mg7 142.77(14) . 4_666 ? Mg3 Mg4 Mg7 88.92(7) 4_665 4_666 ? Mg8 Mg4 Mg7 108.14(7) 4_566 4_666 ? Mg6 Mg4 Mg7 67.34(6) 3_756 4_666 ? F3 Mg4 Mg3 61.42(11) 1_655 1_655 ? O9 Mg4 Mg3 88.48(13) . 1_655 ? F4 Mg4 Mg3 25.31(9) . 1_655 ? O15 Mg4 Mg3 158.42(14) 1_655 1_655 ? O16 Mg4 Mg3 104.04(12) 4_566 1_655 ? O8 Mg4 Mg3 100.85(12) . 1_655 ? Mg3 Mg4 Mg3 139.20(8) 4_665 1_655 ? Mg8 Mg4 Mg3 63.14(6) 4_566 1_655 ? Mg6 Mg4 Mg3 80.02(6) 3_756 1_655 ? Mg7 Mg4 Mg3 56.71(5) 4_666 1_655 ? F2 Mg5 O1 97.80(17) 3_656 . ? F2 Mg5 O3 108.30(18) 3_656 . ? O1 Mg5 O3 78.90(17) . . ? F2 Mg5 O10 113.05(18) 3_656 3_556 ? O1 Mg5 O10 101.29(18) . 3_556 ? O3 Mg5 O10 138.13(19) . 3_556 ? F2 Mg5 O6 85.64(17) 3_656 3_656 ? O1 Mg5 O6 169.31(19) . 3_656 ? O3 Mg5 O6 90.41(18) . 3_656 ? O10 Mg5 O6 86.51(17) 3_556 3_656 ? F2 Mg5 As2 141.95(13) 3_656 1_455 ? O1 Mg5 As2 83.34(13) . 1_455 ? O3 Mg5 As2 109.21(14) . 1_455 ? O10 Mg5 As2 31.62(12) 3_556 1_455 ? O6 Mg5 As2 100.22(13) 3_656 1_455 ? F2 Mg5 Mg7 105.54(12) 3_656 . ? O1 Mg5 Mg7 38.66(12) . . ? O3 Mg5 Mg7 40.28(12) . . ? O10 Mg5 Mg7 128.14(14) 3_556 . ? O6 Mg5 Mg7 130.66(14) 3_656 . ? As2 Mg5 Mg7 98.84(6) 1_455 . ? F2 Mg5 Mg1 65.57(11) 3_656 3_656 ? O1 Mg5 Mg1 139.88(14) . 3_656 ? O3 Mg5 Mg1 73.13(13) . 3_656 ? O10 Mg5 Mg1 118.75(14) 3_556 3_656 ? O6 Mg5 Mg1 33.63(12) 3_656 3_656 ? As2 Mg5 Mg1 132.80(7) 1_455 3_656 ? Mg7 Mg5 Mg1 107.97(7) . 3_656 ? F2 Mg5 Mg3 86.00(12) 3_656 3_556 ? O1 Mg5 Mg3 121.11(13) . 3_556 ? O3 Mg5 Mg3 154.39(14) . 3_556 ? O10 Mg5 Mg3 30.78(12) 3_556 3_556 ? O6 Mg5 Mg3 69.09(13) 3_656 3_556 ? As2 Mg5 Mg3 62.10(5) 1_455 3_556 ? Mg7 Mg5 Mg3 156.87(7) . 3_556 ? Mg1 Mg5 Mg3 95.01(7) 3_656 3_556 ? F2 Mg5 Mg2 26.07(11) 3_656 3_656 ? O1 Mg5 Mg2 86.28(13) . 3_656 ? O3 Mg5 Mg2 83.19(13) . 3_656 ? O10 Mg5 Mg2 138.64(14) 3_556 3_656 ? O6 Mg5 Mg2 92.69(13) 3_656 3_656 ? As2 Mg5 Mg2 161.85(7) 1_455 3_656 ? Mg7 Mg5 Mg2 81.92(6) . 3_656 ? Mg1 Mg5 Mg2 62.60(6) 3_656 3_656 ? Mg3 Mg5 Mg2 111.95(7) 3_556 3_656 ? F1 Mg6 O2 101.62(16) 3_656 . ? F1 Mg6 O9 152.65(18) 3_656 3_756 ? O2 Mg6 O9 96.00(17) . 3_756 ? F1 Mg6 O5 78.55(15) 3_656 3_656 ? O2 Mg6 O5 162.5(2) . 3_656 ? O9 Mg6 O5 90.77(17) 3_756 3_656 ? F1 Mg6 O4 85.99(16) 3_656 . ? O2 Mg6 O4 73.84(16) . . ? O9 Mg6 O4 119.22(19) 3_756 . ? O5 Mg6 O4 88.79(17) 3_656 . ? F1 Mg6 F3 81.94(14) 3_656 3_656 ? O2 Mg6 F3 111.00(16) . 3_656 ? O9 Mg6 F3 72.23(15) 3_756 3_656 ? O5 Mg6 F3 86.40(16) 3_656 3_656 ? O4 Mg6 F3 167.68(17) . 3_656 ? F1 Mg6 Mg2 39.29(10) 3_656 3_656 ? O2 Mg6 Mg2 135.21(13) . 3_656 ? O9 Mg6 Mg2 128.72(14) 3_756 3_656 ? O5 Mg6 Mg2 39.93(12) 3_656 3_656 ? O4 Mg6 Mg2 80.98(12) . 3_656 ? F3 Mg6 Mg2 88.07(11) 3_656 3_656 ? F1 Mg6 As1 174.17(12) 3_656 1_655 ? O2 Mg6 As1 83.78(12) . 1_655 ? O9 Mg6 As1 26.22(12) 3_756 1_655 ? O5 Mg6 As1 95.64(13) 3_656 1_655 ? O4 Mg6 As1 93.49(13) . 1_655 ? F3 Mg6 As1 98.26(10) 3_656 1_655 ? Mg2 Mg6 As1 134.90(7) 3_656 1_655 ? F1 Mg6 As1 102.30(11) 3_656 3_656 ? O2 Mg6 As1 154.82(14) . 3_656 ? O9 Mg6 As1 65.11(12) 3_756 3_656 ? O5 Mg6 As1 25.69(11) 3_656 3_656 ? O4 Mg6 As1 100.08(12) . 3_656 ? F3 Mg6 As1 80.19(10) 3_656 3_656 ? Mg2 Mg6 As1 65.11(5) 3_656 3_656 ? As1 Mg6 As1 72.06(4) 1_655 3_656 ? F1 Mg6 Mg4 116.22(13) 3_656 3_756 ? O2 Mg6 Mg4 114.44(13) . 3_756 ? O9 Mg6 Mg4 36.53(12) 3_756 3_756 ? O5 Mg6 Mg4 80.21(13) 3_656 3_756 ? O4 Mg6 Mg4 152.18(14) . 3_756 ? F3 Mg6 Mg4 37.25(9) 3_656 3_756 ? Mg2 Mg6 Mg4 105.17(8) 3_656 3_756 ? As1 Mg6 Mg4 62.64(5) 1_655 3_756 ? As1 Mg6 Mg4 60.58(5) 3_656 3_756 ? F1 Mg6 Mg8 95.80(11) 3_656 . ? O2 Mg6 Mg8 38.69(12) . . ? O9 Mg6 Mg8 110.91(14) 3_756 . ? O5 Mg6 Mg8 123.86(14) 3_656 . ? O4 Mg6 Mg8 35.20(11) . . ? F3 Mg6 Mg8 148.79(11) 3_656 . ? Mg2 Mg6 Mg8 109.85(7) 3_656 . ? As1 Mg6 Mg8 87.04(5) 1_655 . ? As1 Mg6 Mg8 130.18(6) 3_656 . ? Mg4 Mg6 Mg8 144.25(7) 3_756 . ? F1 Mg6 Mg1 25.51(10) 3_656 3_656 ? O2 Mg6 Mg1 79.56(13) . 3_656 ? O9 Mg6 Mg1 146.14(14) 3_756 3_656 ? O5 Mg6 Mg1 103.44(13) 3_656 3_656 ? O4 Mg6 Mg1 92.03(13) . 3_656 ? F3 Mg6 Mg1 78.10(10) 3_656 3_656 ? Mg2 Mg6 Mg1 64.76(6) 3_656 3_656 ? As1 Mg6 Mg1 160.24(7) 1_655 3_656 ? As1 Mg6 Mg1 125.48(7) 3_656 3_656 ? Mg4 Mg6 Mg1 115.30(8) 3_756 3_656 ? Mg8 Mg6 Mg1 86.59(6) . 3_656 ? F3 Mg7 O1 108.69(18) 4_565 . ? F3 Mg7 O12 110.16(18) 4_565 4_565 ? O1 Mg7 O12 141.1(2) . 4_565 ? F3 Mg7 O3 96.66(17) 4_565 . ? O1 Mg7 O3 78.94(17) . . ? O12 Mg7 O3 98.67(18) 4_565 . ? F3 Mg7 O7 87.54(17) 4_565 4_565 ? O1 Mg7 O7 87.87(17) . 4_565 ? O12 Mg7 O7 91.55(17) 4_565 4_565 ? O3 Mg7 O7 166.81(19) . 4_565 ? F3 Mg7 As4 139.24(13) 4_565 . ? O1 Mg7 As4 111.28(14) . . ? O12 Mg7 As4 31.16(12) 4_565 . ? O3 Mg7 As4 83.52(13) . . ? O7 Mg7 As4 101.46(13) 4_565 . ? F3 Mg7 Mg5 107.73(12) 4_565 . ? O1 Mg7 Mg5 39.24(12) . . ? O12 Mg7 Mg5 126.11(14) 4_565 . ? O3 Mg7 Mg5 39.73(12) . . ? O7 Mg7 Mg5 127.08(14) 4_565 . ? As4 Mg7 Mg5 98.22(6) . . ? F3 Mg7 As3 103.61(12) 4_565 4_566 ? O1 Mg7 As3 101.85(13) . 4_566 ? O12 Mg7 As3 66.77(12) 4_565 4_566 ? O3 Mg7 As3 158.12(15) . 4_566 ? O7 Mg7 As3 26.18(11) 4_565 4_566 ? As4 Mg7 As3 75.79(4) . 4_566 ? Mg5 Mg7 As3 136.30(7) . 4_566 ? F3 Mg7 Mg3 67.18(12) 4_565 4_565 ? O1 Mg7 Mg3 72.11(13) . 4_565 ? O12 Mg7 Mg3 122.03(14) 4_565 4_565 ? O3 Mg7 Mg3 139.07(14) . 4_565 ? O7 Mg7 Mg3 32.82(12) 4_565 4_565 ? As4 Mg7 Mg3 133.71(7) . 4_565 ? Mg5 Mg7 Mg3 107.29(7) . 4_565 ? As3 Mg7 Mg3 58.98(5) 4_566 4_565 ? F3 Mg7 Mg1 83.65(12) 4_565 4_565 ? O1 Mg7 Mg1 159.14(15) . 4_565 ? O12 Mg7 Mg1 30.31(12) 4_565 4_565 ? O3 Mg7 Mg1 117.19(14) . 4_565 ? O7 Mg7 Mg1 75.63(13) 4_565 4_565 ? As4 Mg7 Mg1 61.05(5) . 4_565 ? Mg5 Mg7 Mg1 153.86(7) . 4_565 ? As3 Mg7 Mg1 58.11(5) 4_566 4_565 ? Mg3 Mg7 Mg1 98.81(7) 4_565 4_565 ? F3 Mg7 Mg4 27.93(11) 4_565 4_465 ? O1 Mg7 Mg4 81.57(14) . 4_465 ? O12 Mg7 Mg4 137.27(14) 4_565 4_465 ? O3 Mg7 Mg4 85.08(13) . 4_465 ? O7 Mg7 Mg4 93.09(13) 4_565 4_465 ? As4 Mg7 Mg4 160.72(7) . 4_465 ? Mg5 Mg7 Mg4 82.62(6) . 4_465 ? As3 Mg7 Mg4 116.76(6) 4_566 4_465 ? Mg3 Mg7 Mg4 62.87(5) 4_565 4_465 ? Mg1 Mg7 Mg4 111.54(7) 4_565 4_465 ? F4 Mg8 O8 78.93(15) 4_565 4_565 ? F4 Mg8 O4 102.26(17) 4_565 . ? O8 Mg8 O4 161.1(2) 4_565 . ? F4 Mg8 O11 151.63(18) 4_565 4_565 ? O8 Mg8 O11 90.93(17) 4_565 4_565 ? O4 Mg8 O11 95.82(18) . 4_565 ? F4 Mg8 O2 88.10(15) 4_565 . ? O8 Mg8 O2 88.08(17) 4_565 . ? O4 Mg8 O2 73.16(16) . . ? O11 Mg8 O2 118.26(18) 4_565 . ? F4 Mg8 F2 81.39(14) 4_565 4_565 ? O8 Mg8 F2 82.89(16) 4_565 4_565 ? O4 Mg8 F2 116.01(16) . 4_565 ? O11 Mg8 F2 71.03(15) 4_565 4_565 ? O2 Mg8 F2 167.27(16) . 4_565 ? F4 Mg8 Mg4 39.11(10) 4_565 4_565 ? O8 Mg8 Mg4 40.34(12) 4_565 4_565 ? O4 Mg8 Mg4 135.53(14) . 4_565 ? O11 Mg8 Mg4 128.61(14) 4_565 4_565 ? O2 Mg8 Mg4 82.62(12) . 4_565 ? F2 Mg8 Mg4 84.69(11) 4_565 4_565 ? F4 Mg8 As3 176.07(12) 4_565 . ? O8 Mg8 As3 97.14(13) 4_565 . ? O4 Mg8 As3 81.53(13) . . ? O11 Mg8 As3 27.08(11) 4_565 . ? O2 Mg8 As3 92.02(12) . . ? F2 Mg8 As3 97.97(10) 4_565 . ? Mg4 Mg8 As3 137.03(7) 4_565 . ? F4 Mg8 As4 102.47(11) 4_565 4_565 ? O8 Mg8 As4 24.83(11) 4_565 4_565 ? O4 Mg8 As4 152.84(15) . 4_565 ? O11 Mg8 As4 66.35(12) 4_565 4_565 ? O2 Mg8 As4 96.63(12) . 4_565 ? F2 Mg8 As4 78.80(10) 4_565 4_565 ? Mg4 Mg8 As4 64.84(5) 4_565 4_565 ? As3 Mg8 As4 73.61(4) . 4_565 ? F4 Mg8 Mg2 115.85(13) 4_565 4_565 ? O8 Mg8 Mg2 78.14(13) 4_565 4_565 ? O4 Mg8 Mg2 116.97(14) . 4_565 ? O11 Mg8 Mg2 35.78(12) 4_565 4_565 ? O2 Mg8 Mg2 148.86(13) . 4_565 ? F2 Mg8 Mg2 36.87(9) 4_565 4_565 ? Mg4 Mg8 Mg2 103.11(8) 4_565 4_565 ? As3 Mg8 Mg2 62.70(5) . 4_565 ? As4 Mg8 Mg2 60.40(5) 4_565 4_565 ? F4 Mg8 Mg6 94.82(11) 4_565 . ? O8 Mg8 Mg6 124.15(14) 4_565 . ? O4 Mg8 Mg6 37.15(12) . . ? O11 Mg8 Mg6 112.58(13) 4_565 . ? O2 Mg8 Mg6 36.06(11) . . ? F2 Mg8 Mg6 151.69(11) 4_565 . ? Mg4 Mg8 Mg6 109.97(7) 4_565 . ? As3 Mg8 Mg6 87.58(5) . . ? As4 Mg8 Mg6 129.11(6) 4_565 . ? Mg2 Mg8 Mg6 146.16(7) 4_565 . ? F4 Mg8 Mg3 25.25(10) 4_565 4_665 ? O8 Mg8 Mg3 103.58(13) 4_565 4_665 ? O4 Mg8 Mg3 80.70(13) . 4_665 ? O11 Mg8 Mg3 144.94(14) 4_565 4_665 ? O2 Mg8 Mg3 94.31(12) . 4_665 ? F2 Mg8 Mg3 79.20(10) 4_565 4_665 ? Mg4 Mg8 Mg3 64.29(6) 4_565 4_665 ? As3 Mg8 Mg3 158.50(7) . 4_665 ? As4 Mg8 Mg3 125.81(7) 4_565 4_665 ? Mg2 Mg8 Mg3 115.93(8) 4_565 4_665 ? Mg6 Mg8 Mg3 85.54(6) . 4_665 ? Mg1 F1 Mg6 128.05(18) . 3_656 ? Mg1 F1 Mg2 128.72(18) . . ? Mg6 F1 Mg2 103.10(15) 3_656 . ? Mg5 F2 Mg2 129.27(19) 3_656 . ? Mg5 F2 Mg8 129.66(18) 3_656 4_566 ? Mg2 F2 Mg8 101.05(15) . 4_566 ? Mg7 F3 Mg4 125.72(19) 4_566 1_455 ? Mg7 F3 Mg6 132.52(18) 4_566 3_656 ? Mg4 F3 Mg6 101.75(15) 1_455 3_656 ? Mg3 F4 Mg8 128.84(18) 1_655 4_566 ? Mg3 F4 Mg4 127.96(18) 1_655 . ? Mg8 F4 Mg4 103.00(15) 4_566 . ? As1 O1 Mg7 128.4(2) . . ? As1 O1 Mg5 126.9(2) . . ? Mg7 O1 Mg5 102.10(18) . . ? As2 O2 Mg6 130.5(2) . . ? As2 O2 Mg8 122.5(2) . . ? Mg6 O2 Mg8 105.24(17) . . ? As3 O3 Mg5 130.5(2) . . ? As3 O3 Mg7 128.3(2) . . ? Mg5 O3 Mg7 99.99(18) . . ? As4 O4 Mg8 129.2(2) . . ? As4 O4 Mg6 123.1(2) . . ? Mg8 O4 Mg6 107.65(19) . . ? As1 O5 Mg2 136.7(2) . . ? As1 O5 Mg6 121.2(2) . 3_656 ? Mg2 O5 Mg6 100.01(18) . 3_656 ? As2 O6 Mg1 123.4(2) 1_556 . ? As2 O6 Mg5 124.1(2) 1_556 3_656 ? Mg1 O6 Mg5 111.3(2) . 3_656 ? As3 O7 Mg3 125.8(2) 1_556 . ? As3 O7 Mg7 121.0(2) 1_556 4_566 ? Mg3 O7 Mg7 113.09(19) . 4_566 ? As4 O8 Mg8 124.6(2) . 4_566 ? As4 O8 Mg4 133.2(2) . . ? Mg8 O8 Mg4 100.96(17) 4_566 . ? As1 O9 Mg4 133.5(2) 3_656 . ? As1 O9 Mg6 120.0(2) 3_656 3_756 ? Mg4 O9 Mg6 106.0(2) . 3_756 ? As2 O10 Mg3 133.0(2) 3_656 . ? As2 O10 Mg5 108.2(2) 3_656 3_556 ? Mg3 O10 Mg5 117.6(2) . 3_556 ? As3 O11 Mg2 133.2(2) 4_566 . ? As3 O11 Mg8 118.4(2) 4_566 4_566 ? Mg2 O11 Mg8 107.68(19) . 4_566 ? As4 O12 Mg1 128.8(2) 4_566 . ? As4 O12 Mg7 110.8(2) 4_566 4_566 ? Mg1 O12 Mg7 118.9(2) . 4_566 ? As3 O13 Mg1 126.0(2) . 1_554 ? As3 O13 Mg1 124.5(2) . 3_656 ? Mg1 O13 Mg1 103.42(19) 1_554 3_656 ? As4 O14 Mg2 124.0(2) . 3_656 ? As4 O14 Mg2 120.1(2) . . ? Mg2 O14 Mg2 100.43(18) 3_656 . ? As1 O15 Mg3 121.8(2) . 4_565 ? As1 O15 Mg4 124.3(2) . 1_455 ? Mg3 O15 Mg4 103.71(19) 4_565 1_455 ? As2 O16 Mg3 118.6(2) . 1_654 ? As2 O16 Mg4 124.9(2) . 4_565 ? Mg3 O16 Mg4 99.90(18) 1_654 4_565 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 28.28 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.700 _refine_diff_density_min -0.551 _refine_diff_density_rms 0.135