data_h1 _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 4.6818(4) _cell_length_b 11.8666(11) _cell_length_c 20.3017(19) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1127.90(18) _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 4.916 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1963 _exptl_absorpt_coefficient_mu 6.772 _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 27094 _diffrn_reflns_av_R_equivalents 0.0286 _diffrn_reflns_av_sigmaI/netI 0.0106 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 1.99 _diffrn_reflns_theta_max 30.36 _reflns_number_total 1754 _reflns_number_gt 1693 _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^)+(0.0142P)^2^+1.0676P] 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 0.0015(3) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 1754 _refine_ls_number_parameters 165 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0170 _refine_ls_R_factor_gt 0.0161 _refine_ls_wR_factor_ref 0.0411 _refine_ls_wR_factor_gt 0.0407 _refine_ls_goodness_of_fit_ref 1.242 _refine_ls_restrained_S_all 1.242 _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 AlA Al 0.40099(6) 0.7500 0.250239(10) 0.01537(9) Uani 0.5507(11) 2 d SP . . TaA Ta 0.40099(6) 0.7500 0.250239(10) 0.01537(9) Uani 0.3194(11) 2 d SP . . Al2 Al 0.55777(8) 0.61051(3) 0.473311(19) 0.00536(13) Uani 0.986(3) 1 d P . . Al3 Al 0.05959(8) 0.49029(3) 0.431524(19) 0.00534(13) Uani 0.984(3) 1 d P . . Al4 Al 0.06075(9) 0.35985(4) 0.29022(2) 0.00794(15) Uani 0.916(3) 1 d P . . Si1 Si 0.0868(3) 0.7500 0.40833(7) 0.0055(2) Uani 0.870(4) 2 d SP . . Sb1 Sb 0.1109(6) 0.7500 0.38612(17) 0.0107(6) Uani 0.067(4) 2 d SP . . As1 As 0.1109(6) 0.7500 0.38612(17) 0.0107(6) Uani 0.063(4) 2 d SP . . Si2 Si 0.58752(14) 0.52049(10) 0.32972(4) 0.00552(15) Uani 0.870(4) 1 d P . . Sb2 Sb 0.6091(3) 0.5596(2) 0.31736(8) 0.0089(4) Uani 0.086(4) 1 d P . . As2 As 0.6091(3) 0.5596(2) 0.31736(8) 0.0089(4) Uani 0.044(4) 1 d P . . O1 O2- 0.3777(3) 0.7500 0.45681(7) 0.0072(3) Uani 1 2 d S . . O2 O2- 0.1613(4) 0.7500 0.33042(8) 0.0104(4) Uani 0.870(4) 2 d SP . . O3 O2- 0.89433(19) 0.63873(8) 0.42518(5) 0.00685(19) Uani 1 1 d . . . O4 O2- 0.4039(2) 0.43460(8) 0.28240(5) 0.00818(19) Uani 1 1 d . . . O5 O2- 0.39424(19) 0.54999(8) 0.39419(5) 0.00691(19) Uani 1 1 d . . . O6 O2- 0.8811(2) 0.45102(8) 0.35231(5) 0.00781(19) Uani 1 1 d . . . O7 O2- 0.6585(3) 0.63332(10) 0.28894(6) 0.0116(3) Uani 0.870(4) 1 d P . . O8 O2- 0.1752(3) 0.2500 0.34978(7) 0.0100(3) Uani 1 2 d S . . O9 O2- 0.2539(2) 0.35050(8) 0.44768(5) 0.00743(19) Uani 1 1 d . . . O10 O2- 0.7568(3) 0.2500 0.27390(7) 0.0109(3) Uani 1 2 d S . . O11 O2- 0.75013(19) 0.46706(8) 0.48832(4) 0.00535(18) Uani 1 1 d . . . B B 0.2280(4) 0.2500 0.41562(10) 0.0070(3) Uani 1 2 d S . . 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 0.03529(15) 0.00498(11) 0.00585(11) 0.000 -0.00260(8) 0.000 TaA 0.03529(15) 0.00498(11) 0.00585(11) 0.000 -0.00260(8) 0.000 Al2 0.00420(19) 0.0059(2) 0.0060(2) 0.00007(14) -0.00018(13) -0.00003(13) Al3 0.00391(19) 0.0066(2) 0.0055(2) -0.00001(13) -0.00005(13) 0.00008(13) Al4 0.0070(2) 0.0089(2) 0.0079(2) 0.00133(15) -0.00042(14) 0.00016(15) Si1 0.0037(3) 0.0050(3) 0.0076(5) 0.000 -0.0001(4) 0.000 Sb1 0.0049(7) 0.0071(7) 0.0202(15) 0.000 -0.0023(9) 0.000 As1 0.0049(7) 0.0071(7) 0.0202(15) 0.000 -0.0023(9) 0.000 Si2 0.0043(2) 0.0070(3) 0.0052(3) -0.0005(2) -0.00009(16) 0.0005(2) Sb2 0.0062(4) 0.0132(9) 0.0073(6) -0.0024(5) -0.0001(3) 0.0012(4) As2 0.0062(4) 0.0132(9) 0.0073(6) -0.0024(5) -0.0001(3) 0.0012(4) O1 0.0055(6) 0.0063(6) 0.0097(6) 0.000 -0.0010(5) 0.000 O2 0.0130(8) 0.0108(8) 0.0073(8) 0.000 0.0028(6) 0.000 O3 0.0052(4) 0.0067(4) 0.0087(4) 0.0011(3) 0.0006(3) -0.0002(3) O4 0.0070(4) 0.0091(4) 0.0085(4) -0.0018(3) 0.0001(3) 0.0003(3) O5 0.0055(4) 0.0091(4) 0.0061(4) 0.0001(3) 0.0004(3) -0.0010(3) O6 0.0071(4) 0.0093(4) 0.0071(4) -0.0012(3) -0.0017(3) 0.0011(3) O7 0.0122(6) 0.0109(6) 0.0118(6) 0.0018(4) 0.0009(4) -0.0010(4) O8 0.0158(7) 0.0072(6) 0.0070(6) 0.000 -0.0018(5) 0.000 O9 0.0085(4) 0.0062(4) 0.0075(4) -0.0009(3) -0.0014(3) 0.0005(3) O10 0.0085(6) 0.0111(6) 0.0132(7) 0.000 -0.0003(5) 0.000 O11 0.0037(4) 0.0064(4) 0.0060(4) -0.0001(3) 0.0001(3) -0.0005(3) B 0.0056(8) 0.0079(8) 0.0075(8) 0.000 -0.0006(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 1.9591(12) 6_556 ? AlA O7 1.9591(12) 4_465 ? AlA O2 1.9772(17) . ? AlA O7 1.9971(12) . ? AlA O7 1.9971(12) 7_575 ? AlA O2 2.0413(17) 6_656 ? AlA TaA 2.34091(19) 6_656 ? AlA AlA 2.34091(19) 6_656 ? AlA AlA 2.3409(2) 6_556 ? AlA TaA 2.3409(2) 6_556 ? AlA Sb2 2.813(2) . ? Al2 O11 1.8794(10) 5_666 ? Al2 O3 1.8840(10) . ? Al2 O1 1.8876(8) . ? Al2 O9 1.8879(10) 5_666 ? Al2 O5 1.9188(10) . ? Al2 O11 1.9498(10) . ? Al2 Al3 2.8627(6) . ? Al2 Al3 2.8766(6) 1_655 ? Al2 Al2 2.8888(8) 5_666 ? Al2 Al3 2.8935(6) 5_666 ? Al3 O6 1.8713(10) 1_455 ? Al3 O11 1.8720(10) 1_455 ? Al3 O5 1.8791(10) . ? Al3 O9 1.9201(10) . ? Al3 O11 1.9231(10) 5_666 ? Al3 O3 1.9283(10) 1_455 ? Al3 Al3 2.8452(8) 5_566 ? Al3 Al2 2.8766(6) 1_455 ? Al3 Al2 2.8935(6) 5_666 ? Al4 O4 1.8421(11) . ? Al4 O8 1.8569(11) . ? Al4 O6 1.8619(11) 1_455 ? Al4 O4 1.8708(11) 6_556 ? Al4 O10 1.9581(11) 1_455 ? Al4 O10 2.0582(12) 6_556 ? Al4 Al4 2.6070(9) 7_565 ? Al4 Al4 2.8543(5) 6_556 ? Al4 Al4 2.8543(5) 6_656 ? Si1 Sb1 0.465(3) . ? Si1 O2 1.620(2) . ? Si1 O3 1.6347(12) 1_455 ? Si1 O3 1.6347(12) 7_475 ? Si1 O1 1.6804(19) . ? Sb1 O2 1.155(4) . ? Sb1 O3 1.844(2) 1_455 ? Sb1 O3 1.844(2) 7_475 ? Sb1 O1 1.903(3) . ? Sb1 AlA 2.938(3) 6_556 ? Sb1 TaA 2.938(3) 6_556 ? Si2 Sb2 0.5368(15) . ? Si2 O7 1.6090(19) . ? Si2 O5 1.6293(12) . ? Si2 O4 1.6434(12) . ? Si2 O6 1.6670(12) . ? Sb2 O7 1.074(3) . ? Sb2 O5 1.8595(19) . ? Sb2 O4 1.904(2) . ? Sb2 O6 1.945(2) . ? Sb2 TaA 2.976(3) 6_656 ? Sb2 AlA 2.976(3) 6_656 ? O1 Al2 1.8876(8) 7_575 ? O2 TaA 2.0413(17) 6_556 ? O2 AlA 2.0413(17) 6_556 ? O3 Si1 1.6347(12) 1_655 ? O3 As1 1.844(2) 1_655 ? O3 Sb1 1.844(2) 1_655 ? O3 Al3 1.9283(10) 1_655 ? O4 Al4 1.8707(11) 6_656 ? O6 Al4 1.8620(11) 1_655 ? O6 Al3 1.8713(10) 1_655 ? O7 TaA 1.9591(12) 6_656 ? O7 AlA 1.9591(12) 6_656 ? O8 B 1.359(2) . ? O8 Al4 1.8570(11) 7_565 ? O9 B 1.3641(13) . ? O9 Al2 1.8879(10) 5_666 ? O10 Al4 1.9581(11) 1_655 ? O10 Al4 1.9581(11) 7_665 ? O10 Al4 2.0581(12) 4 ? O10 Al4 2.0581(12) 6_656 ? O11 Al3 1.8720(10) 1_655 ? O11 Al2 1.8794(10) 5_666 ? O11 Al3 1.9231(10) 5_666 ? B O9 1.3641(13) 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 89.95(7) 6_556 4_465 ? O7 AlA O2 90.31(5) 6_556 . ? O7 AlA O2 90.31(5) 4_465 . ? O7 AlA O7 91.12(6) 6_556 . ? O7 AlA O7 178.25(6) 4_465 . ? O2 AlA O7 91.08(5) . . ? O7 AlA O7 178.25(6) 6_556 7_575 ? O7 AlA O7 91.11(6) 4_465 7_575 ? O2 AlA O7 91.08(5) . 7_575 ? O7 AlA O7 87.79(7) . 7_575 ? O7 AlA O2 91.16(5) 6_556 6_656 ? O7 AlA O2 91.16(5) 4_465 6_656 ? O2 AlA O2 177.93(8) . 6_656 ? O7 AlA O2 87.43(5) . 6_656 ? O7 AlA O2 87.43(5) 7_575 6_656 ? O7 AlA TaA 125.29(4) 6_556 6_656 ? O7 AlA TaA 125.29(4) 4_465 6_656 ? O2 AlA TaA 124.82(5) . 6_656 ? O7 AlA TaA 52.98(4) . 6_656 ? O7 AlA TaA 52.98(4) 7_575 6_656 ? O2 AlA TaA 53.11(5) 6_656 6_656 ? O7 AlA AlA 125.29(4) 6_556 6_656 ? O7 AlA AlA 125.29(4) 4_465 6_656 ? O2 AlA AlA 124.82(5) . 6_656 ? O7 AlA AlA 52.98(4) . 6_656 ? O7 AlA AlA 52.98(4) 7_575 6_656 ? O2 AlA AlA 53.11(5) 6_656 6_656 ? TaA AlA AlA 0.000(10) 6_656 6_656 ? O7 AlA AlA 54.48(4) 6_556 6_556 ? O7 AlA AlA 54.48(4) 4_465 6_556 ? O2 AlA AlA 55.65(5) . 6_556 ? O7 AlA AlA 127.26(4) . 6_556 ? O7 AlA AlA 127.26(4) 7_575 6_556 ? O2 AlA AlA 126.42(5) 6_656 6_556 ? TaA AlA AlA 179.53(2) 6_656 6_556 ? AlA AlA AlA 179.53(2) 6_656 6_556 ? O7 AlA TaA 54.48(4) 6_556 6_556 ? O7 AlA TaA 54.48(4) 4_465 6_556 ? O2 AlA TaA 55.65(5) . 6_556 ? O7 AlA TaA 127.26(4) . 6_556 ? O7 AlA TaA 127.26(4) 7_575 6_556 ? O2 AlA TaA 126.42(5) 6_656 6_556 ? TaA AlA TaA 179.53(2) 6_656 6_556 ? AlA AlA TaA 179.53(2) 6_656 6_556 ? AlA AlA TaA 0.000(10) 6_556 6_556 ? O7 AlA Sb2 80.18(5) 6_556 . ? O7 AlA Sb2 164.82(5) 4_465 . ? O2 AlA Sb2 78.33(4) . . ? O7 AlA Sb2 16.93(5) . . ? O7 AlA Sb2 99.05(5) 7_575 . ? O2 AlA Sb2 100.48(4) 6_656 . ? TaA AlA Sb2 69.86(3) 6_656 . ? AlA AlA Sb2 69.86(3) 6_656 . ? AlA AlA Sb2 110.39(4) 6_556 . ? TaA AlA Sb2 110.39(4) 6_556 . ? O11 Al2 O3 160.65(5) 5_666 . ? O11 Al2 O1 99.24(5) 5_666 . ? O3 Al2 O1 97.21(5) . . ? O11 Al2 O9 97.24(4) 5_666 5_666 ? O3 Al2 O9 90.37(5) . 5_666 ? O1 Al2 O9 98.30(5) . 5_666 ? O11 Al2 O5 81.81(4) 5_666 . ? O3 Al2 O5 88.06(4) . . ? O1 Al2 O5 90.08(5) . . ? O9 Al2 O5 171.60(5) 5_666 . ? O11 Al2 O11 82.07(4) 5_666 . ? O3 Al2 O11 81.37(4) . . ? O1 Al2 O11 178.48(6) . . ? O9 Al2 O11 82.27(4) 5_666 . ? O5 Al2 O11 89.33(4) . . ? O11 Al2 Al3 41.74(3) 5_666 . ? O3 Al2 Al3 128.05(4) . . ? O1 Al2 Al3 91.18(4) . . ? O9 Al2 Al3 138.97(4) 5_666 . ? O5 Al2 Al3 40.56(3) . . ? O11 Al2 Al3 89.29(3) . . ? O11 Al2 Al3 120.39(3) 5_666 1_655 ? O3 Al2 Al3 41.60(3) . 1_655 ? O1 Al2 Al3 138.36(4) . 1_655 ? O9 Al2 Al3 89.47(3) 5_666 1_655 ? O5 Al2 Al3 83.88(3) . 1_655 ? O11 Al2 Al3 40.17(3) . 1_655 ? Al3 Al2 Al3 109.322(19) . 1_655 ? O11 Al2 Al2 41.95(3) 5_666 5_666 ? O3 Al2 Al2 120.83(4) . 5_666 ? O1 Al2 Al2 141.18(5) . 5_666 ? O9 Al2 Al2 89.50(3) 5_666 5_666 ? O5 Al2 Al2 84.23(4) . 5_666 ? O11 Al2 Al2 40.12(3) . 5_666 ? Al3 Al2 Al2 60.407(16) . 5_666 ? Al3 Al2 Al2 79.241(18) 1_655 5_666 ? O11 Al2 Al3 89.75(3) 5_666 5_666 ? O3 Al2 Al3 84.38(3) . 5_666 ? O1 Al2 Al3 139.24(4) . 5_666 ? O9 Al2 Al3 40.96(3) 5_666 5_666 ? O5 Al2 Al3 130.64(4) . 5_666 ? O11 Al2 Al3 41.31(3) . 5_666 ? Al3 Al2 Al3 119.756(16) . 5_666 ? Al3 Al2 Al3 59.088(16) 1_655 5_666 ? Al2 Al2 Al3 59.350(16) 5_666 5_666 ? O6 Al3 O11 98.46(4) 1_455 1_455 ? O6 Al3 O5 96.87(5) 1_455 . ? O11 Al3 O5 161.66(5) 1_455 . ? O6 Al3 O9 98.24(4) 1_455 . ? O11 Al3 O9 97.72(4) 1_455 . ? O5 Al3 O9 89.97(4) . . ? O6 Al3 O11 178.53(5) 1_455 5_666 ? O11 Al3 O11 82.88(4) 1_455 5_666 ? O5 Al3 O11 81.71(4) . 5_666 ? O9 Al3 O11 82.15(4) . 5_666 ? O6 Al3 O3 89.47(4) 1_455 1_455 ? O11 Al3 O3 82.25(4) 1_455 1_455 ? O5 Al3 O3 87.89(4) . 1_455 ? O9 Al3 O3 172.19(5) . 1_455 ? O11 Al3 O3 90.11(4) 5_666 1_455 ? O6 Al3 Al3 140.57(4) 1_455 5_566 ? O11 Al3 Al3 42.12(3) 1_455 5_566 ? O5 Al3 Al3 121.81(4) . 5_566 ? O9 Al3 Al3 89.77(3) . 5_566 ? O11 Al3 Al3 40.76(3) 5_666 5_566 ? O3 Al3 Al3 84.98(3) 1_455 5_566 ? O6 Al3 Al2 137.95(4) 1_455 . ? O11 Al3 Al2 121.43(3) 1_455 . ? O5 Al3 Al2 41.61(3) . . ? O9 Al3 Al2 89.65(3) . . ? O11 Al3 Al2 40.59(3) 5_666 . ? O3 Al3 Al2 83.77(3) 1_455 . ? Al3 Al3 Al2 80.201(18) 5_566 . ? O6 Al3 Al2 90.70(3) 1_455 1_455 ? O11 Al3 Al2 42.21(3) 1_455 1_455 ? O5 Al3 Al2 127.80(4) . 1_455 ? O9 Al3 Al2 139.91(3) . 1_455 ? O11 Al3 Al2 89.90(3) 5_666 1_455 ? O3 Al3 Al2 40.44(3) 1_455 1_455 ? Al3 Al3 Al2 60.752(16) 5_566 1_455 ? Al2 Al3 Al2 109.324(19) . 1_455 ? O6 Al3 Al2 138.37(4) 1_455 5_666 ? O11 Al3 Al2 90.40(3) 1_455 5_666 ? O5 Al3 Al2 84.77(3) . 5_666 ? O9 Al3 Al2 40.14(3) . 5_666 ? O11 Al3 Al2 42.01(3) 5_666 5_666 ? O3 Al3 Al2 132.12(3) 1_455 5_666 ? Al3 Al3 Al2 60.161(16) 5_566 5_666 ? Al2 Al3 Al2 60.244(16) . 5_666 ? Al2 Al3 Al2 120.913(16) 1_455 5_666 ? O4 Al4 O8 98.19(6) . . ? O4 Al4 O6 99.94(5) . 1_455 ? O8 Al4 O6 95.60(5) . 1_455 ? O4 Al4 O4 92.64(5) . 6_556 ? O8 Al4 O4 163.59(5) . 6_556 ? O6 Al4 O4 94.62(5) 1_455 6_556 ? O4 Al4 O10 160.02(6) . 1_455 ? O8 Al4 O10 81.53(5) . 1_455 ? O6 Al4 O10 99.97(5) 1_455 1_455 ? O4 Al4 O10 84.09(5) 6_556 1_455 ? O4 Al4 O10 82.04(5) . 6_556 ? O8 Al4 O10 80.71(5) . 6_556 ? O6 Al4 O10 176.06(5) 1_455 6_556 ? O4 Al4 O10 88.67(5) 6_556 6_556 ? O10 Al4 O10 78.20(3) 1_455 6_556 ? O4 Al4 Al4 118.79(3) . 7_565 ? O8 Al4 Al4 45.42(3) . 7_565 ? O6 Al4 Al4 125.53(3) 1_455 7_565 ? O4 Al4 Al4 118.30(3) 6_556 7_565 ? O10 Al4 Al4 48.26(3) 1_455 7_565 ? O10 Al4 Al4 50.70(3) 6_556 7_565 ? O4 Al4 Al4 131.75(4) . 6_556 ? O8 Al4 Al4 127.53(4) . 6_556 ? O6 Al4 Al4 90.96(3) 1_455 6_556 ? O4 Al4 Al4 39.39(3) 6_556 6_556 ? O10 Al4 Al4 46.14(3) 1_455 6_556 ? O10 Al4 Al4 90.22(5) 6_556 6_556 ? Al4 Al4 Al4 90.0 7_565 6_556 ? O4 Al4 Al4 40.12(3) . 6_656 ? O8 Al4 Al4 97.81(5) . 6_656 ? O6 Al4 Al4 139.27(3) 1_455 6_656 ? O4 Al4 Al4 82.59(4) 6_556 6_656 ? O10 Al4 Al4 119.95(4) 1_455 6_656 ? O10 Al4 Al4 43.31(3) 6_556 6_656 ? Al4 Al4 Al4 90.0 7_565 6_656 ? Al4 Al4 Al4 110.19(3) 6_556 6_656 ? Sb1 Si1 O2 1.6(4) . . ? Sb1 Si1 O3 109.7(3) . 1_455 ? O2 Si1 O3 108.84(7) . 1_455 ? Sb1 Si1 O3 109.7(2) . 7_475 ? O2 Si1 O3 108.84(7) . 7_475 ? O3 Si1 O3 107.75(10) 1_455 7_475 ? Sb1 Si1 O1 111.8(5) . . ? O2 Si1 O1 113.41(11) . . ? O3 Si1 O1 108.92(7) 1_455 . ? O3 Si1 O1 108.92(7) 7_475 . ? Si1 Sb1 O2 177.7(6) . . ? Si1 Sb1 O3 56.6(2) . 1_455 ? O2 Sb1 O3 122.22(14) . 1_455 ? Si1 Sb1 O3 56.6(2) . 7_475 ? O2 Sb1 O3 122.22(14) . 7_475 ? O3 Sb1 O3 91.46(15) 1_455 7_475 ? Si1 Sb1 O1 55.1(4) . . ? O2 Sb1 O1 127.2(2) . . ? O3 Sb1 O1 92.10(13) 1_455 . ? O3 Sb1 O1 92.10(13) 7_475 . ? Si1 Sb1 AlA 146.4(5) . 6_556 ? O2 Sb1 AlA 31.33(13) . 6_556 ? O3 Sb1 AlA 102.78(10) 1_455 6_556 ? O3 Sb1 AlA 102.78(10) 7_475 6_556 ? O1 Sb1 AlA 158.51(15) . 6_556 ? Si1 Sb1 TaA 146.4(5) . 6_556 ? O2 Sb1 TaA 31.33(13) . 6_556 ? O3 Sb1 TaA 102.78(10) 1_455 6_556 ? O3 Sb1 TaA 102.78(10) 7_475 6_556 ? O1 Sb1 TaA 158.51(15) . 6_556 ? AlA Sb1 TaA 0.000(10) 6_556 6_556 ? Si1 Sb1 AlA 167.8(5) . . ? O2 Sb1 AlA 14.43(12) . . ? O3 Sb1 AlA 128.95(10) 1_455 . ? O3 Sb1 AlA 128.95(10) 7_475 . ? O1 Sb1 AlA 112.75(12) . . ? AlA Sb1 AlA 45.76(5) 6_556 . ? TaA Sb1 AlA 45.76(5) 6_556 . ? Sb2 Si2 O7 3.43(16) . . ? Sb2 Si2 O5 107.12(18) . . ? O7 Si2 O5 110.45(8) . . ? Sb2 Si2 O4 111.16(18) . . ? O7 Si2 O4 108.86(7) . . ? O5 Si2 O4 108.20(7) . . ? Sb2 Si2 O6 113.61(18) . . ? O7 Si2 O6 112.50(7) . . ? O5 Si2 O6 110.07(7) . . ? O4 Si2 O6 106.58(7) . . ? Si2 Sb2 O7 174.9(2) . . ? Si2 Sb2 O5 56.86(17) . . ? O7 Sb2 O5 128.13(13) . . ? Si2 Sb2 O4 53.60(17) . . ? O7 Sb2 O4 122.90(12) . . ? O5 Sb2 O4 89.55(10) . . ? Si2 Sb2 O6 51.74(16) . . ? O7 Sb2 O6 126.48(12) . . ? O5 Sb2 O6 90.44(10) . . ? O4 Sb2 O6 87.17(10) . . ? Si2 Sb2 AlA 148.78(19) . . ? O7 Sb2 AlA 32.80(8) . . ? O5 Sb2 AlA 105.55(7) . . ? O4 Sb2 AlA 105.68(6) . . ? O6 Sb2 AlA 159.28(10) . . ? Si2 Sb2 TaA 163.29(19) . 6_656 ? O7 Sb2 TaA 15.01(8) . 6_656 ? O5 Sb2 TaA 132.97(9) . 6_656 ? O4 Sb2 TaA 130.62(8) . 6_656 ? O6 Sb2 TaA 111.73(7) . 6_656 ? AlA Sb2 TaA 47.60(4) . 6_656 ? Si2 Sb2 AlA 163.29(19) . 6_656 ? O7 Sb2 AlA 15.01(8) . 6_656 ? O5 Sb2 AlA 132.97(9) . 6_656 ? O4 Sb2 AlA 130.62(8) . 6_656 ? O6 Sb2 AlA 111.73(7) . 6_656 ? AlA Sb2 AlA 47.60(4) . 6_656 ? TaA Sb2 AlA 0.000(12) 6_656 6_656 ? Si1 O1 Al2 117.77(4) . . ? Si1 O1 Al2 117.77(4) . 7_575 ? Al2 O1 Al2 122.56(7) . 7_575 ? Si1 O1 Sb1 13.11(8) . . ? Al2 O1 Sb1 115.28(5) . . ? Al2 O1 Sb1 115.28(5) 7_575 . ? Sb1 O2 Si1 0.65(17) . . ? Sb1 O2 AlA 157.20(19) . . ? Si1 O2 AlA 157.85(12) . . ? Sb1 O2 TaA 131.56(18) . 6_556 ? Si1 O2 TaA 130.91(11) . 6_556 ? AlA O2 TaA 71.24(5) . 6_556 ? Sb1 O2 AlA 131.56(18) . 6_556 ? Si1 O2 AlA 130.91(11) . 6_556 ? AlA O2 AlA 71.24(5) . 6_556 ? TaA O2 AlA 0.000(12) 6_556 6_556 ? Si1 O3 As1 13.73(7) 1_655 1_655 ? Si1 O3 Sb1 13.73(7) 1_655 1_655 ? As1 O3 Sb1 0.00(19) 1_655 1_655 ? Si1 O3 Al2 135.49(7) 1_655 . ? As1 O3 Al2 144.12(9) 1_655 . ? Sb1 O3 Al2 144.12(9) 1_655 . ? Si1 O3 Al3 122.05(7) 1_655 1_655 ? As1 O3 Al3 117.53(8) 1_655 1_655 ? Sb1 O3 Al3 117.53(8) 1_655 1_655 ? Al2 O3 Al3 97.96(5) . 1_655 ? Si2 O4 Al4 134.78(7) . . ? Si2 O4 Al4 123.33(6) . 6_656 ? Al4 O4 Al4 100.49(5) . 6_656 ? Si2 O4 Sb2 15.24(4) . . ? Al4 O4 Sb2 141.52(7) . . ? Al4 O4 Sb2 117.71(7) 6_656 . ? Si2 O5 Sb2 16.02(4) . . ? Si2 O5 Al3 134.92(7) . . ? Sb2 O5 Al3 144.33(7) . . ? Si2 O5 Al2 122.09(6) . . ? Sb2 O5 Al2 117.61(6) . . ? Al3 O5 Al2 97.83(5) . . ? Si2 O6 Al4 118.27(6) . 1_655 ? Si2 O6 Al3 118.78(6) . 1_655 ? Al4 O6 Al3 121.65(5) 1_655 1_655 ? Si2 O6 Sb2 14.65(4) . . ? Al4 O6 Sb2 115.70(6) 1_655 . ? Al3 O6 Sb2 116.16(6) 1_655 . ? Sb2 O7 Si2 1.71(8) . . ? Sb2 O7 TaA 156.83(12) . 6_656 ? Si2 O7 TaA 156.46(8) . 6_656 ? Sb2 O7 AlA 156.83(12) . 6_656 ? Si2 O7 AlA 156.46(8) . 6_656 ? TaA O7 AlA 0.000(11) 6_656 6_656 ? Sb2 O7 AlA 130.27(11) . . ? Si2 O7 AlA 130.89(7) . . ? TaA O7 AlA 72.55(4) 6_656 . ? AlA O7 AlA 72.55(4) 6_656 . ? B O8 Al4 133.85(5) . . ? B O8 Al4 133.85(5) . 7_565 ? Al4 O8 Al4 89.17(7) . 7_565 ? B O9 Al2 131.40(10) . 5_666 ? B O9 Al3 129.17(10) . . ? Al2 O9 Al3 98.90(5) 5_666 . ? Al4 O10 Al4 83.47(6) 1_655 7_665 ? Al4 O10 Al4 148.51(8) 1_655 4 ? Al4 O10 Al4 90.55(3) 7_665 4 ? Al4 O10 Al4 90.55(3) 1_655 6_656 ? Al4 O10 Al4 148.51(8) 7_665 6_656 ? Al4 O10 Al4 78.59(6) 4 6_656 ? Al3 O11 Al2 157.08(6) 1_655 5_666 ? Al3 O11 Al3 97.12(4) 1_655 5_666 ? Al2 O11 Al3 97.67(4) 5_666 5_666 ? Al3 O11 Al2 97.63(4) 1_655 . ? Al2 O11 Al2 97.93(4) 5_666 . ? Al3 O11 Al2 96.68(4) 5_666 . ? O8 B O9 119.04(8) . . ? O8 B O9 119.04(8) . 7_565 ? O9 B O9 121.92(17) . 7_565 ? _diffrn_measured_fraction_theta_max 0.983 _diffrn_reflns_theta_full 30.36 _diffrn_measured_fraction_theta_full 0.983 _refine_diff_density_max 0.953 _refine_diff_density_min -0.525 _refine_diff_density_rms 0.072