data_h4 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H2 Al6.50 As0.50 B O17 O217 Sb0.75 Si2 Ta0.25' _chemical_formula_weight 834.85 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'B' 'B' 0.0013 0.0007 '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' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' 'Ta' 'Ta' -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sb' 'Sb' -0.8160 1.5460 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'As' 'As' -0.0300 2.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O2-' 0.0080 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+1/2, -y, z+1/2' '-x, y+1/2, -z' 'x+1/2, -y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z' '-x-1/2, y-1/2, z-1/2' _cell_length_a 4.7264(9) _cell_length_b 11.981(2) _cell_length_c 20.566(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1164.6(4) _cell_formula_units_Z 4 _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 4.762 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1963 _exptl_absorpt_coefficient_mu 6.559 _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_reflns_number 1043 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0256 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 1.97 _diffrn_reflns_theta_max 24.83 _reflns_number_total 1057 _reflns_number_gt 826 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0401P)^2^+18.6502P] 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 0.0000(11) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 1057 _refine_ls_number_parameters 167 _refine_ls_number_restraints 255 _refine_ls_R_factor_all 0.0795 _refine_ls_R_factor_gt 0.0511 _refine_ls_wR_factor_ref 0.1398 _refine_ls_wR_factor_gt 0.1123 _refine_ls_goodness_of_fit_ref 1.174 _refine_ls_restrained_S_all 1.046 _refine_ls_shift/su_max 1.567 _refine_ls_shift/su_mean 0.020 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 AlA Al 0.4047(7) 0.7500 0.2504(2) 0.0304(11) Uani 0.620(3) 2 d SPU . . TaA Ta 0.4047(7) 0.7500 0.2504(2) 0.0304(11) Uani 0.106(3) 2 d SPU . . Al2 Al 0.5577(8) 0.6107(3) 0.47334(16) 0.0117(12) Uani 1.000(17) 1 d U . . Al3 Al 0.0594(8) 0.4893(3) 0.43112(16) 0.0104(12) Uani 1.000(17) 1 d U . . Al4 Al 0.0596(8) 0.3577(3) 0.28943(18) 0.0125(13) Uani 0.963(19) 1 d PU . . Si1 Si 0.089(4) 0.7500 0.4080(7) 0.018(3) Uani 0.726(11) 2 d SPU . . Sb1 Sb 0.114(3) 0.7500 0.3865(4) 0.0158(17) Uani 0.22(2) 2 d SPU . . As1 As 0.114(3) 0.7500 0.3865(4) 0.0158(17) Uani 0.05(2) 2 d SPU . . Si2 Si 0.5910(16) 0.5225(7) 0.3295(4) 0.0093(14) Uani 0.726(11) 1 d PU . . Sb2 Sb 0.6101(12) 0.5597(5) 0.3171(4) 0.0148(11) Uani 0.199(14) 1 d PU . . As2 As 0.6101(12) 0.5597(5) 0.3171(4) 0.0148(11) Uani 0.076(14) 1 d PU . . O1 O2- 0.376(2) 0.7500 0.4566(6) 0.013(2) Uani 1 2 d SU . . O2 O2- 0.159(4) 0.7500 0.3286(9) 0.022(3) Uani 0.726(11) 2 d SPU . . O3 O2- 0.8908(17) 0.6381(6) 0.4247(4) 0.0132(17) Uani 1 1 d U . . O4 O2- 0.4009(16) 0.4363(6) 0.2824(4) 0.0119(16) Uani 1 1 d U . . O5 O2- 0.3915(16) 0.5513(6) 0.3948(4) 0.0104(14) Uani 1 1 d U . . O6 O2- 0.8859(14) 0.4475(6) 0.3518(4) 0.0134(14) Uani 1 1 d U . . O7 O2- 0.658(2) 0.6346(10) 0.2881(7) 0.022(2) Uani 0.726(11) 1 d PU . . O8 O2- 0.178(3) 0.2500 0.3498(6) 0.012(2) Uani 1 2 d SU . . O9 O2- 0.2532(16) 0.3503(8) 0.4474(6) 0.0175(18) Uani 1 1 d U . . O10 O2- 0.769(2) 0.2500 0.2730(8) 0.014(3) Uani 1 2 d S . . O11 O2- 0.7488(13) 0.4683(7) 0.4871(5) 0.0073(16) Uani 1 1 d U . . B B 0.234(4) 0.2500 0.4161(13) 0.017(3) Uani 1 2 d SU . . 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 AlA 0.066(2) 0.0074(19) 0.018(2) 0.000 -0.004(2) 0.000 TaA 0.066(2) 0.0074(19) 0.018(2) 0.000 -0.004(2) 0.000 Al2 0.0132(19) 0.0072(19) 0.0146(18) -0.0010(13) -0.0006(13) -0.0025(14) Al3 0.0085(18) 0.0097(19) 0.0131(19) 0.0000(14) -0.0028(13) -0.0026(13) Al4 0.014(2) 0.009(2) 0.014(2) 0.0000(14) -0.0017(15) 0.0004(15) Si1 0.008(5) 0.014(5) 0.032(5) 0.000 -0.001(5) 0.000 Sb1 0.010(4) 0.005(3) 0.033(4) 0.000 -0.005(3) 0.000 As1 0.010(4) 0.005(3) 0.033(4) 0.000 -0.005(3) 0.000 Si2 0.011(3) 0.009(4) 0.008(4) -0.002(2) -0.004(2) 0.004(2) Sb2 0.0147(19) 0.015(3) 0.015(3) 0.0012(19) -0.0014(16) 0.0000(18) As2 0.0147(19) 0.015(3) 0.015(3) 0.0012(19) -0.0014(16) 0.0000(18) O1 0.008(5) 0.009(4) 0.021(5) 0.000 0.004(4) 0.000 O2 0.011(6) 0.024(8) 0.033(4) 0.000 -0.006(5) 0.000 O3 0.014(4) 0.006(4) 0.019(4) 0.009(3) -0.003(3) -0.005(3) O4 0.010(4) 0.013(4) 0.013(4) 0.001(3) -0.001(3) -0.001(3) O5 0.008(3) 0.007(3) 0.015(3) -0.003(3) -0.001(3) 0.000(3) O6 0.013(3) 0.016(4) 0.011(4) -0.005(3) -0.005(3) 0.001(3) O7 0.020(5) 0.016(5) 0.030(6) 0.004(3) 0.010(4) -0.002(4) O8 0.030(6) 0.003(6) 0.004(5) 0.000 0.001(5) 0.000 O9 0.018(4) 0.013(5) 0.021(5) 0.003(3) -0.002(3) -0.001(3) O10 0.018(9) 0.010(7) 0.015(7) 0.000 -0.005(5) 0.000 O11 0.001(4) 0.012(5) 0.009(5) 0.006(3) -0.002(3) -0.002(3) B 0.034(7) 0.011(7) 0.006(7) 0.000 -0.004(7) 0.000 _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 AlA O7 1.975(11) 6_556 ? AlA O7 1.975(11) 4_465 ? AlA O2 1.99(2) . ? AlA O7 1.986(11) 7_575 ? AlA O7 1.986(11) . ? AlA O2 2.020(18) 6_656 ? AlA AlA 2.3632(5) 6_556 ? AlA TaA 2.3632(5) 6_556 ? AlA AlA 2.3633(5) 6_656 ? AlA TaA 2.3633(5) 6_656 ? AlA As2 2.833(6) 7_575 ? AlA Sb2 2.833(6) 7_575 ? Al2 O3 1.894(9) . ? Al2 O1 1.907(6) . ? Al2 O11 1.912(9) 5_666 ? Al2 O9 1.917(11) 5_666 ? Al2 O5 1.932(8) . ? Al2 O11 1.952(9) . ? Al2 Al3 2.901(5) . ? Al2 Al3 2.914(5) 1_655 ? Al2 Al2 2.922(6) 5_666 ? Al2 Al3 2.928(4) 5_666 ? Al3 O11 1.882(9) 1_455 ? Al3 O5 1.891(8) . ? Al3 O6 1.894(8) 1_455 ? Al3 O9 1.929(11) . ? Al3 O3 1.957(8) 1_455 ? Al3 O11 1.977(10) 5_666 ? Al3 Al3 2.900(7) 5_566 ? Al3 Al2 2.914(5) 1_455 ? Al3 Al2 2.928(4) 5_666 ? Al4 O6 1.865(9) 1_455 ? Al4 O4 1.874(9) . ? Al4 O8 1.876(9) . ? Al4 O4 1.905(9) 6_556 ? Al4 O10 1.915(9) 1_455 ? Al4 O10 2.071(12) 6_556 ? Al4 Al4 2.580(7) 7_565 ? Al4 Al4 2.866(4) 6_656 ? Al4 Al4 2.866(4) 6_556 ? Si1 Sb1 0.457(13) . ? Si1 O2 1.66(2) . ? Si1 O3 1.671(13) 1_455 ? Si1 O3 1.671(13) 7_475 ? Si1 O1 1.69(2) . ? Sb1 O2 1.21(2) . ? Sb1 O3 1.877(10) 1_455 ? Sb1 O3 1.877(10) 7_475 ? Sb1 O1 1.903(18) . ? Sb1 AlA 2.983(12) 6_556 ? Sb1 TaA 2.983(12) 6_556 ? Si2 Sb2 0.520(5) . ? Si2 O7 1.621(12) . ? Si2 O5 1.676(12) . ? Si2 O4 1.678(12) . ? Si2 O6 1.721(10) . ? Sb2 O7 1.102(12) . ? Sb2 O5 1.905(10) . ? Sb2 O4 1.917(10) . ? Sb2 O6 2.003(9) . ? Sb2 TaA 3.011(6) 6_656 ? Sb2 AlA 3.011(6) 6_656 ? O1 Al2 1.907(6) 7_575 ? O2 TaA 2.020(18) 6_556 ? O2 AlA 2.020(18) 6_556 ? O3 Si1 1.671(13) 1_655 ? O3 As1 1.877(11) 1_655 ? O3 Sb1 1.877(11) 1_655 ? O3 Al3 1.957(8) 1_655 ? O4 Al4 1.905(9) 6_656 ? O6 Al4 1.865(9) 1_655 ? O6 Al3 1.894(8) 1_655 ? O7 TaA 1.975(11) 6_656 ? O7 AlA 1.975(11) 6_656 ? O8 B 1.39(3) . ? O8 Al4 1.876(9) 7_565 ? O9 B 1.367(15) . ? O9 Al2 1.917(11) 5_666 ? O10 Al4 1.916(9) 1_655 ? O10 Al4 1.916(9) 7_665 ? O10 Al4 2.071(12) 4 ? O10 Al4 2.071(12) 6_656 ? O11 Al3 1.882(9) 1_655 ? O11 Al2 1.912(9) 5_666 ? O11 Al3 1.977(10) 5_666 ? B O9 1.366(15) 7_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 O7 AlA O7 88.9(7) 6_556 4_465 ? O7 AlA O2 88.7(4) 6_556 . ? O7 AlA O2 88.7(4) 4_465 . ? O7 AlA O7 179.1(5) 6_556 7_575 ? O7 AlA O7 91.4(6) 4_465 7_575 ? O2 AlA O7 92.1(5) . 7_575 ? O7 AlA O7 91.4(6) 6_556 . ? O7 AlA O7 179.1(5) 4_465 . ? O2 AlA O7 92.1(5) . . ? O7 AlA O7 88.3(7) 7_575 . ? O7 AlA O2 91.7(6) 6_556 6_656 ? O7 AlA O2 91.7(6) 4_465 6_656 ? O2 AlA O2 179.4(8) . 6_656 ? O7 AlA O2 87.5(4) 7_575 6_656 ? O7 AlA O2 87.5(4) . 6_656 ? O7 AlA AlA 53.6(3) 6_556 6_556 ? O7 AlA AlA 53.6(3) 4_465 6_556 ? O2 AlA AlA 54.5(5) . 6_556 ? O7 AlA AlA 127.2(3) 7_575 6_556 ? O7 AlA AlA 127.2(4) . 6_556 ? O2 AlA AlA 126.1(6) 6_656 6_556 ? O7 AlA TaA 53.6(3) 6_556 6_556 ? O7 AlA TaA 53.6(3) 4_465 6_556 ? O2 AlA TaA 54.5(5) . 6_556 ? O7 AlA TaA 127.2(3) 7_575 6_556 ? O7 AlA TaA 127.2(4) . 6_556 ? O2 AlA TaA 126.1(6) 6_656 6_556 ? AlA AlA TaA 0.0(2) 6_556 6_556 ? O7 AlA AlA 126.0(4) 6_556 6_656 ? O7 AlA AlA 126.0(4) 4_465 6_656 ? O2 AlA AlA 126.2(6) . 6_656 ? O7 AlA AlA 53.2(3) 7_575 6_656 ? O7 AlA AlA 53.2(3) . 6_656 ? O2 AlA AlA 53.2(6) 6_656 6_656 ? AlA AlA AlA 179.2(5) 6_556 6_656 ? TaA AlA AlA 179.2(5) 6_556 6_656 ? O7 AlA TaA 126.0(4) 6_556 6_656 ? O7 AlA TaA 126.0(4) 4_465 6_656 ? O2 AlA TaA 126.2(6) . 6_656 ? O7 AlA TaA 53.2(3) 7_575 6_656 ? O7 AlA TaA 53.2(3) . 6_656 ? O2 AlA TaA 53.2(6) 6_656 6_656 ? AlA AlA TaA 179.2(5) 6_556 6_656 ? TaA AlA TaA 179.2(5) 6_556 6_656 ? AlA AlA TaA 0.0(2) 6_656 6_656 ? O7 AlA As2 163.8(4) 6_556 7_575 ? O7 AlA As2 80.4(4) 4_465 7_575 ? O2 AlA As2 78.9(3) . 7_575 ? O7 AlA As2 17.1(3) 7_575 7_575 ? O7 AlA As2 99.5(4) . 7_575 ? O2 AlA As2 100.7(3) 6_656 7_575 ? AlA AlA As2 110.23(19) 6_556 7_575 ? TaA AlA As2 110.23(19) 6_556 7_575 ? AlA AlA As2 70.16(17) 6_656 7_575 ? TaA AlA As2 70.16(17) 6_656 7_575 ? O7 AlA Sb2 163.8(4) 6_556 7_575 ? O7 AlA Sb2 80.4(4) 4_465 7_575 ? O2 AlA Sb2 78.9(3) . 7_575 ? O7 AlA Sb2 17.1(3) 7_575 7_575 ? O7 AlA Sb2 99.5(4) . 7_575 ? O2 AlA Sb2 100.7(3) 6_656 7_575 ? AlA AlA Sb2 110.23(19) 6_556 7_575 ? TaA AlA Sb2 110.23(19) 6_556 7_575 ? AlA AlA Sb2 70.16(17) 6_656 7_575 ? TaA AlA Sb2 70.16(17) 6_656 7_575 ? As2 AlA Sb2 0.0(3) 7_575 7_575 ? O3 Al2 O1 97.3(4) . . ? O3 Al2 O11 160.1(4) . 5_666 ? O1 Al2 O11 99.7(4) . 5_666 ? O3 Al2 O9 91.1(4) . 5_666 ? O1 Al2 O9 98.6(5) . 5_666 ? O11 Al2 O9 96.4(5) 5_666 5_666 ? O3 Al2 O5 87.7(4) . . ? O1 Al2 O5 89.3(4) . . ? O11 Al2 O5 82.3(4) 5_666 . ? O9 Al2 O5 172.0(4) 5_666 . ? O3 Al2 O11 81.0(4) . . ? O1 Al2 O11 177.8(5) . . ? O11 Al2 O11 81.7(3) 5_666 . ? O9 Al2 O11 82.7(4) 5_666 . ? O5 Al2 O11 89.3(4) . . ? O3 Al2 Al3 127.1(3) . . ? O1 Al2 Al3 91.1(3) . . ? O11 Al2 Al3 42.6(3) 5_666 . ? O9 Al2 Al3 139.0(4) 5_666 . ? O5 Al2 Al3 40.1(2) . . ? O11 Al2 Al3 88.9(2) . . ? O3 Al2 Al3 41.6(2) . 1_655 ? O1 Al2 Al3 138.5(4) . 1_655 ? O11 Al2 Al3 119.7(3) 5_666 1_655 ? O9 Al2 Al3 89.7(3) 5_666 1_655 ? O5 Al2 Al3 84.1(3) . 1_655 ? O11 Al2 Al3 39.6(3) . 1_655 ? Al3 Al2 Al3 108.72(13) . 1_655 ? O3 Al2 Al2 120.7(3) . 5_666 ? O1 Al2 Al2 141.1(4) . 5_666 ? O11 Al2 Al2 41.4(3) 5_666 5_666 ? O9 Al2 Al2 89.4(4) 5_666 5_666 ? O5 Al2 Al2 84.5(3) . 5_666 ? O11 Al2 Al2 40.4(2) . 5_666 ? Al3 Al2 Al2 60.36(12) . 5_666 ? Al3 Al2 Al2 79.07(14) 1_655 5_666 ? O3 Al2 Al3 84.9(3) . 5_666 ? O1 Al2 Al3 139.2(4) . 5_666 ? O11 Al2 Al3 88.8(3) 5_666 5_666 ? O9 Al2 Al3 40.6(3) 5_666 5_666 ? O5 Al2 Al3 131.4(3) . 5_666 ? O11 Al2 Al3 42.2(3) . 5_666 ? Al3 Al2 Al3 119.83(13) . 5_666 ? Al3 Al2 Al3 59.51(14) 1_655 5_666 ? Al2 Al2 Al3 59.46(14) 5_666 5_666 ? O11 Al3 O5 160.3(4) 1_455 . ? O11 Al3 O6 98.8(4) 1_455 1_455 ? O5 Al3 O6 97.1(3) . 1_455 ? O11 Al3 O9 98.6(5) 1_455 . ? O5 Al3 O9 90.8(4) . . ? O6 Al3 O9 97.3(4) 1_455 . ? O11 Al3 O3 81.1(4) 1_455 1_455 ? O5 Al3 O3 87.3(4) . 1_455 ? O6 Al3 O3 90.3(3) 1_455 1_455 ? O9 Al3 O3 172.3(4) . 1_455 ? O11 Al3 O11 82.6(3) 1_455 5_666 ? O5 Al3 O11 81.6(3) . 5_666 ? O6 Al3 O11 178.4(4) 1_455 5_666 ? O9 Al3 O11 81.8(4) . 5_666 ? O3 Al3 O11 90.6(4) 1_455 5_666 ? O11 Al3 Al3 42.6(3) 1_455 5_566 ? O5 Al3 Al3 120.8(3) . 5_566 ? O6 Al3 Al3 141.4(3) 1_455 5_566 ? O9 Al3 Al3 89.9(4) . 5_566 ? O3 Al3 Al3 84.7(3) 1_455 5_566 ? O11 Al3 Al3 40.1(2) 5_666 5_566 ? O11 Al3 Al2 121.1(3) 1_455 . ? O5 Al3 Al2 41.2(2) . . ? O6 Al3 Al2 137.9(3) 1_455 . ? O9 Al3 Al2 89.7(3) . . ? O3 Al3 Al2 83.9(3) 1_455 . ? O11 Al3 Al2 40.9(3) 5_666 . ? Al3 Al3 Al2 79.66(15) 5_566 . ? O11 Al3 Al2 41.4(3) 1_455 1_455 ? O5 Al3 Al2 126.7(3) . 1_455 ? O6 Al3 Al2 92.1(3) 1_455 1_455 ? O9 Al3 Al2 139.9(4) . 1_455 ? O3 Al3 Al2 40.0(2) 1_455 1_455 ? O11 Al3 Al2 89.5(2) 5_666 1_455 ? Al3 Al3 Al2 60.48(14) 5_566 1_455 ? Al2 Al3 Al2 108.72(13) . 1_455 ? O11 Al3 Al2 91.0(3) 1_455 5_666 ? O5 Al3 Al2 85.0(3) . 5_666 ? O6 Al3 Al2 137.5(3) 1_455 5_666 ? O9 Al3 Al2 40.3(3) . 5_666 ? O3 Al3 Al2 132.1(3) 1_455 5_666 ? O11 Al3 Al2 41.5(2) 5_666 5_666 ? Al3 Al3 Al2 60.01(13) 5_566 5_666 ? Al2 Al3 Al2 60.18(13) . 5_666 ? Al2 Al3 Al2 120.49(14) 1_455 5_666 ? O6 Al4 O4 98.2(4) 1_455 . ? O6 Al4 O8 94.2(4) 1_455 . ? O4 Al4 O8 98.1(5) . . ? O6 Al4 O4 94.3(4) 1_455 6_556 ? O4 Al4 O4 91.7(3) . 6_556 ? O8 Al4 O4 166.0(4) . 6_556 ? O6 Al4 O10 101.2(5) 1_455 1_455 ? O4 Al4 O10 160.5(5) . 1_455 ? O8 Al4 O10 82.4(5) . 1_455 ? O4 Al4 O10 85.0(5) 6_556 1_455 ? O6 Al4 O10 174.8(5) 1_455 6_556 ? O4 Al4 O10 81.6(4) . 6_556 ? O8 Al4 O10 80.8(5) . 6_556 ? O4 Al4 O10 90.9(5) 6_556 6_556 ? O10 Al4 O10 79.3(3) 1_455 6_556 ? O6 Al4 Al4 125.2(2) 1_455 7_565 ? O4 Al4 Al4 120.2(3) . 7_565 ? O8 Al4 Al4 46.6(3) . 7_565 ? O4 Al4 Al4 119.6(3) 6_556 7_565 ? O10 Al4 Al4 47.7(3) 1_455 7_565 ? O10 Al4 Al4 51.5(3) 6_556 7_565 ? O6 Al4 Al4 138.8(3) 1_455 6_656 ? O4 Al4 Al4 41.1(2) . 6_656 ? O8 Al4 Al4 97.4(4) . 6_656 ? O4 Al4 Al4 83.5(3) 6_556 6_656 ? O10 Al4 Al4 119.5(5) 1_455 6_656 ? O10 Al4 Al4 41.9(3) 6_556 6_656 ? Al4 Al4 Al4 90.001(1) 7_565 6_656 ? O6 Al4 Al4 91.5(2) 1_455 6_556 ? O4 Al4 Al4 131.8(3) . 6_556 ? O8 Al4 Al4 128.3(4) . 6_556 ? O4 Al4 Al4 40.3(3) 6_556 6_556 ? O10 Al4 Al4 46.2(4) 1_455 6_556 ? O10 Al4 Al4 92.5(4) 6_556 6_556 ? Al4 Al4 Al4 90.001(1) 7_565 6_556 ? Al4 Al4 Al4 111.1(2) 6_656 6_556 ? Sb1 Si1 O2 3(4) . . ? Sb1 Si1 O3 110(2) . 1_455 ? O2 Si1 O3 108.2(8) . 1_455 ? Sb1 Si1 O3 110(2) . 7_475 ? O2 Si1 O3 108.2(8) . 7_475 ? O3 Si1 O3 106.8(11) 1_455 7_475 ? Sb1 Si1 O1 111(4) . . ? O2 Si1 O1 114.9(12) . . ? O3 Si1 O1 109.2(8) 1_455 . ? O3 Si1 O1 109.2(8) 7_475 . ? Si1 Sb1 O2 175(5) . . ? Si1 Sb1 O3 57(2) . 1_455 ? O2 Sb1 O3 120.7(8) . 1_455 ? Si1 Sb1 O3 57(2) . 7_475 ? O2 Sb1 O3 120.7(8) . 7_475 ? O3 Sb1 O3 91.2(7) 1_455 7_475 ? Si1 Sb1 O1 56(4) . . ? O2 Sb1 O1 129.1(13) . . ? O3 Sb1 O1 92.8(5) 1_455 . ? O3 Sb1 O1 92.8(5) 7_475 . ? Si1 Sb1 AlA 146(4) . 6_556 ? O2 Sb1 AlA 29.5(9) . 6_556 ? O3 Sb1 AlA 102.1(5) 1_455 6_556 ? O3 Sb1 AlA 102.1(5) 7_475 6_556 ? O1 Sb1 AlA 158.6(6) . 6_556 ? Si1 Sb1 TaA 146(4) . 6_556 ? O2 Sb1 TaA 29.5(9) . 6_556 ? O3 Sb1 TaA 102.1(5) 1_455 6_556 ? O3 Sb1 TaA 102.1(5) 7_475 6_556 ? O1 Sb1 TaA 158.6(6) . 6_556 ? AlA Sb1 TaA 0.00(13) 6_556 6_556 ? Si1 Sb1 AlA 169(4) . . ? O2 Sb1 AlA 16.0(9) . . ? O3 Sb1 AlA 128.5(4) 1_455 . ? O3 Sb1 AlA 128.5(4) 7_475 . ? O1 Sb1 AlA 113.1(6) . . ? AlA Sb1 AlA 45.51(13) 6_556 . ? TaA Sb1 AlA 45.51(13) 6_556 . ? Sb2 Si2 O7 2.9(15) . . ? Sb2 Si2 O5 108.3(19) . . ? O7 Si2 O5 111.1(7) . . ? Sb2 Si2 O4 109.7(19) . . ? O7 Si2 O4 108.1(7) . . ? O5 Si2 O4 106.8(5) . . ? Sb2 Si2 O6 115.9(15) . . ? O7 Si2 O6 114.5(6) . . ? O5 Si2 O6 110.5(6) . . ? O4 Si2 O6 105.4(6) . . ? Si2 Sb2 O7 176(2) . . ? Si2 Sb2 O5 56.7(16) . . ? O7 Sb2 O5 127.5(8) . . ? Si2 Sb2 O4 55.5(17) . . ? O7 Sb2 O4 122.1(9) . . ? O5 Sb2 O4 89.6(4) . . ? Si2 Sb2 O6 50.6(13) . . ? O7 Sb2 O6 127.3(7) . . ? O5 Sb2 O6 91.1(4) . . ? O4 Sb2 O6 87.2(4) . . ? Si2 Sb2 AlA 149.9(15) . . ? O7 Sb2 AlA 31.9(6) . . ? O5 Sb2 AlA 105.2(3) . . ? O4 Sb2 AlA 105.3(4) . . ? O6 Sb2 AlA 159.3(3) . . ? Si2 Sb2 TaA 162.4(15) . 6_656 ? O7 Sb2 TaA 15.9(6) . 6_656 ? O5 Sb2 TaA 132.6(4) . 6_656 ? O4 Sb2 TaA 130.6(4) . 6_656 ? O6 Sb2 TaA 111.8(3) . 6_656 ? AlA Sb2 TaA 47.58(8) . 6_656 ? Si2 Sb2 AlA 162.4(15) . 6_656 ? O7 Sb2 AlA 15.9(6) . 6_656 ? O5 Sb2 AlA 132.6(4) . 6_656 ? O4 Sb2 AlA 130.6(4) . 6_656 ? O6 Sb2 AlA 111.8(3) . 6_656 ? AlA Sb2 AlA 47.58(8) . 6_656 ? TaA Sb2 AlA 0.00(16) 6_656 6_656 ? Si1 O1 Sb1 12.9(6) . . ? Si1 O1 Al2 118.0(3) . 7_575 ? Sb1 O1 Al2 115.5(4) . 7_575 ? Si1 O1 Al2 118.0(3) . . ? Sb1 O1 Al2 115.5(4) . . ? Al2 O1 Al2 122.0(6) 7_575 . ? Sb1 O2 Si1 1.3(13) . . ? Sb1 O2 AlA 154.3(14) . . ? Si1 O2 AlA 155.6(13) . . ? Sb1 O2 TaA 133.4(14) . 6_556 ? Si1 O2 TaA 132.1(13) . 6_556 ? AlA O2 TaA 72.3(6) . 6_556 ? Sb1 O2 AlA 133.4(14) . 6_556 ? Si1 O2 AlA 132.1(13) . 6_556 ? AlA O2 AlA 72.3(6) . 6_556 ? TaA O2 AlA 0.00(16) 6_556 6_556 ? Si1 O3 As1 13.2(5) 1_655 1_655 ? Si1 O3 Sb1 13.2(5) 1_655 1_655 ? As1 O3 Sb1 0.0(5) 1_655 1_655 ? Si1 O3 Al2 135.5(6) 1_655 . ? As1 O3 Al2 144.2(5) 1_655 . ? Sb1 O3 Al2 144.2(5) 1_655 . ? Si1 O3 Al3 121.1(7) 1_655 1_655 ? As1 O3 Al3 116.8(5) 1_655 1_655 ? Sb1 O3 Al3 116.8(5) 1_655 1_655 ? Al2 O3 Al3 98.3(3) . 1_655 ? Si2 O4 Al4 136.5(6) . . ? Si2 O4 Al4 122.8(5) . 6_656 ? Al4 O4 Al4 98.7(4) . 6_656 ? Si2 O4 Sb2 14.8(3) . . ? Al4 O4 Sb2 143.4(5) . . ? Al4 O4 Sb2 117.9(5) 6_656 . ? Si2 O5 Al3 134.6(5) . . ? Si2 O5 Sb2 15.0(3) . . ? Al3 O5 Sb2 143.3(5) . . ? Si2 O5 Al2 121.1(5) . . ? Al3 O5 Al2 98.7(4) . . ? Sb2 O5 Al2 117.5(5) . . ? Si2 O6 Al4 118.4(5) . 1_655 ? Si2 O6 Al3 116.2(6) . 1_655 ? Al4 O6 Al3 123.7(4) 1_655 1_655 ? Si2 O6 Sb2 13.5(3) . . ? Al4 O6 Sb2 115.4(4) 1_655 . ? Al3 O6 Sb2 114.3(5) 1_655 . ? Sb2 O7 Si2 1.4(7) . . ? Sb2 O7 TaA 155.3(9) . 6_656 ? Si2 O7 TaA 154.9(8) . 6_656 ? Sb2 O7 AlA 155.3(9) . 6_656 ? Si2 O7 AlA 154.9(8) . 6_656 ? TaA O7 AlA 0.0(3) 6_656 6_656 ? Sb2 O7 AlA 131.0(8) . . ? Si2 O7 AlA 131.6(7) . . ? TaA O7 AlA 73.3(4) 6_656 . ? AlA O7 AlA 73.3(4) 6_656 . ? B O8 Al4 135.0(4) . . ? B O8 Al4 135.0(4) . 7_565 ? Al4 O8 Al4 86.9(6) . 7_565 ? B O9 Al2 130.2(12) . 5_666 ? B O9 Al3 130.3(11) . . ? Al2 O9 Al3 99.2(4) 5_666 . ? Al4 O10 Al4 84.7(5) 1_655 7_665 ? Al4 O10 Al4 150.6(9) 1_655 4 ? Al4 O10 Al4 91.9(3) 7_665 4 ? Al4 O10 Al4 91.9(3) 1_655 6_656 ? Al4 O10 Al4 150.6(9) 7_665 6_656 ? Al4 O10 Al4 77.1(6) 4 6_656 ? Al3 O11 Al2 156.5(5) 1_655 5_666 ? Al3 O11 Al2 98.9(5) 1_655 . ? Al2 O11 Al2 98.3(3) 5_666 . ? Al3 O11 Al3 97.4(3) 1_655 5_666 ? Al2 O11 Al3 96.4(5) 5_666 5_666 ? Al2 O11 Al3 96.3(4) . 5_666 ? O9 B O9 123(2) 7_565 . ? O9 B O8 118.3(11) 7_565 . ? O9 B O8 118.3(11) . . ? _diffrn_measured_fraction_theta_max 0.985 _diffrn_reflns_theta_full 24.83 _diffrn_measured_fraction_theta_full 0.985 _refine_diff_density_max 1.836 _refine_diff_density_min -1.013 _refine_diff_density_rms 0.279