data_niger _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H2 Al11.60 Fe1.50 Li0.50 O24 Sn1.60 Zn0.80' _chemical_formula_weight 1028.43 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' 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Zn' 'Zn' 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sn' 'Sn' -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Li' 'Li' -0.0003 0.0001 '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 ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z' '-x+y, y, z' 'x, x-y, z' _cell_length_a 5.7197(8) _cell_length_b 5.7197(8) _cell_length_c 13.829(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 391.81(11) _cell_formula_units_Z 1 _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 4.359 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 489 _exptl_absorpt_coefficient_mu 5.905 _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 3372 _diffrn_reflns_av_R_equivalents 0.0363 _diffrn_reflns_av_sigmaI/netI 0.0156 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.47 _diffrn_reflns_theta_max 27.40 _reflns_number_total 398 _reflns_number_gt 397 _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^)+(0.1000P)^2^+3.0000P] 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 0.028(6) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 398 _refine_ls_number_parameters 60 _refine_ls_number_restraints 4 _refine_ls_R_factor_all 0.0363 _refine_ls_R_factor_gt 0.0361 _refine_ls_wR_factor_ref 0.1215 _refine_ls_wR_factor_gt 0.1208 _refine_ls_goodness_of_fit_ref 0.990 _refine_ls_restrained_S_all 0.985 _refine_ls_shift/su_max 0.025 _refine_ls_shift/su_mean 0.003 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 Al1 Al 0.0000 0.0000 0.5000 0.0077(9) Uani 1 12 d S . . Al2 Al 0.3367(3) 0.16836(16) 0.33034(12) 0.0075(5) Uani 1 2 d S . . Fe3 Fe 0.6667 0.3333 0.54600(14) 0.0071(7) Uani 0.392(4) 6 d SP . . Zn3 Zn 0.6667 0.3333 0.54600(14) 0.0071(7) Uani 0.125(11) 6 d SP . . Al3 Al 0.6667 0.3333 0.54600(14) 0.0071(7) Uani 0.483(11) 6 d SP . . Fe4 Fe 0.0000 0.0000 0.12332(19) 0.0087(7) Uani 0.205(4) 6 d SP . . Al4 Al 0.0000 0.0000 0.12332(19) 0.0087(7) Uani 0.795(4) 6 d SP . . Al5 Al 0.5000 0.0000 0.0000 0.0119(8) Uani 0.724(4) 4 d SP . . Li5 Li 0.5000 0.0000 0.0000 0.0119(8) Uani 0.276(4) 4 d SP . . Sn6 Sn 0.3333 0.6667 0.18600(5) 0.0070(4) Uani 0.835(4) 6 d SP . . Al6 Al 0.3333 0.6667 0.18600(5) 0.0070(4) Uani 0.165(4) 6 d SP . . O1 O 0.1496(4) 0.2992(8) 0.4137(3) 0.0084(9) Uani 1 2 d S . . O2 O 0.6667 0.3333 0.4031(6) 0.0093(15) Uani 1 6 d S . . O3 O 0.0000 0.0000 0.2584(6) 0.0130(16) Uani 1 6 d S . . O4 O 0.9844(9) 0.4922(5) 0.2587(3) 0.0135(10) Uani 1 2 d S . . O5 O 0.6667 0.3333 0.0705(6) 0.0149(17) Uani 1 6 d S . . O6 O 0.1767(5) 0.3534(11) 0.0836(3) 0.0217(12) Uani 1 2 d S . . H1 H 0.6667 0.3333 0.1400 0.02(4) Uiso 1 6 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 Al1 0.0072(12) 0.0072(12) 0.009(2) 0.000 0.000 0.0036(6) Al2 0.0059(10) 0.0065(7) 0.0100(9) 0.0005(3) 0.0009(7) 0.0030(5) Fe3 0.0086(8) 0.0086(8) 0.0041(10) 0.000 0.000 0.0043(4) Zn3 0.0086(8) 0.0086(8) 0.0041(10) 0.000 0.000 0.0043(4) Al3 0.0086(8) 0.0086(8) 0.0041(10) 0.000 0.000 0.0043(4) Fe4 0.0086(9) 0.0086(9) 0.0089(12) 0.000 0.000 0.0043(4) Al4 0.0086(9) 0.0086(9) 0.0089(12) 0.000 0.000 0.0043(4) Al5 0.0125(12) 0.0085(17) 0.0132(16) 0.0012(13) 0.0006(7) 0.0043(8) Li5 0.0125(12) 0.0085(17) 0.0132(16) 0.0012(13) 0.0006(7) 0.0043(8) Sn6 0.0076(5) 0.0076(5) 0.0058(6) 0.000 0.000 0.0038(2) Al6 0.0076(5) 0.0076(5) 0.0058(6) 0.000 0.000 0.0038(2) O1 0.0079(13) 0.0077(19) 0.0096(19) 0.0051(16) 0.0026(8) 0.0039(10) O2 0.009(2) 0.009(2) 0.011(3) 0.000 0.000 0.0043(10) O3 0.012(2) 0.012(2) 0.016(4) 0.000 0.000 0.0058(11) O4 0.012(2) 0.0100(14) 0.019(2) 0.0023(9) 0.0046(18) 0.0061(11) O5 0.017(3) 0.017(3) 0.011(4) 0.000 0.000 0.0085(13) O6 0.0243(19) 0.022(3) 0.018(2) -0.005(2) -0.0027(10) 0.0109(13) _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 Al1 O1 1.903(4) 8_556 ? Al1 O1 1.903(4) 2 ? Al1 O1 1.903(4) 7_556 ? Al1 O1 1.903(4) . ? Al1 O1 1.903(4) 9_556 ? Al1 O1 1.903(4) 3 ? Al2 O4 1.886(3) 3_665 ? Al2 O4 1.886(3) 2_655 ? Al2 O2 1.919(4) . ? Al2 O3 1.942(5) . ? Al2 O1 1.958(3) . ? Al2 O1 1.958(3) 3 ? Fe3 O1 1.904(4) 9_656 ? Fe3 O1 1.904(4) 7_666 ? Fe3 O1 1.904(4) 8_556 ? Fe3 O2 1.976(8) . ? Fe3 O4 3.206(5) 8_566 ? Fe3 O4 3.206(5) 7_766 ? Fe4 O6 1.835(5) 2 ? Fe4 O6 1.835(5) . ? Fe4 O6 1.835(5) 3 ? Fe4 O3 1.868(9) . ? Fe4 Al2 3.313(3) 2 ? Al5 O5 1.917(4) . ? Al5 O5 1.917(4) 7_655 ? Al5 O6 1.977(3) 9_655 ? Al5 O6 1.977(3) 3 ? Al5 O6 1.977(3) 8 ? Al5 O6 1.977(3) 2_655 ? Sn6 O4 2.000(4) 2_655 ? Sn6 O4 2.000(4) 3_675 ? Sn6 O4 2.000(5) 1_455 ? Sn6 O6 2.101(5) 3_565 ? Sn6 O6 2.101(5) . ? Sn6 O6 2.101(5) 2_665 ? O1 Al3 1.904(4) 7_666 ? O1 Zn3 1.904(4) 7_666 ? O1 Fe3 1.904(4) 7_666 ? O1 Al2 1.958(3) 2 ? O1 Al2 3.354(5) 3 ? O1 Fe3 3.400(2) 1_455 ? O2 Al2 1.919(4) 2_655 ? O2 Al2 1.919(4) 3_665 ? O2 Fe3 3.3764(17) 7_666 ? O2 Fe3 3.3765(17) 7_766 ? O2 Fe3 3.3765(17) 7_656 ? O3 Al2 1.942(5) 3 ? O3 Al2 1.942(5) 2 ? O3 Sn6 3.451(3) 1_445 ? O3 Sn6 3.451(3) 1_545 ? O4 Al2 1.886(3) 3_665 ? O4 Al2 1.886(3) 2_655 ? O4 Al6 2.000(4) 1_655 ? O4 Sn6 2.000(4) 1_655 ? O4 H1 2.274(5) . ? O4 O5 3.042(8) . ? O4 Fe3 3.206(5) 7_766 ? O4 Fe4 3.419(3) 1_665 ? O4 Fe4 3.419(3) 1_655 ? O5 H1 0.961(8) . ? O5 Li5 1.917(4) 2_655 ? O5 Al5 1.917(4) 2_655 ? O5 Li5 1.917(4) 3_665 ? O5 Al5 1.917(4) 3_665 ? O5 Fe4 3.3822(19) 1_655 ? O5 Fe4 3.3822(19) 1_665 ? O5 H1 0.961(8) . ? O6 Li5 1.977(3) 3_665 ? O6 Al5 1.977(3) 3_665 ? O6 Li5 1.977(3) 2 ? O6 Al5 1.977(3) 2 ? O6 Fe4 3.354(5) 7 ? O6 Al5 3.405(5) 1_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 O1 Al1 O1 180.000(1) 8_556 2 ? O1 Al1 O1 84.81(19) 8_556 7_556 ? O1 Al1 O1 95.19(19) 2 7_556 ? O1 Al1 O1 95.19(19) 8_556 . ? O1 Al1 O1 84.81(19) 2 . ? O1 Al1 O1 179.999(1) 7_556 . ? O1 Al1 O1 84.81(19) 8_556 9_556 ? O1 Al1 O1 95.19(19) 2 9_556 ? O1 Al1 O1 84.81(19) 7_556 9_556 ? O1 Al1 O1 95.19(19) . 9_556 ? O1 Al1 O1 95.19(19) 8_556 3 ? O1 Al1 O1 84.81(19) 2 3 ? O1 Al1 O1 95.19(19) 7_556 3 ? O1 Al1 O1 84.81(19) . 3 ? O1 Al1 O1 180.00(19) 9_556 3 ? O4 Al2 O4 92.6(3) 3_665 2_655 ? O4 Al2 O2 83.84(18) 3_665 . ? O4 Al2 O2 83.84(18) 2_655 . ? O4 Al2 O3 96.71(17) 3_665 . ? O4 Al2 O3 96.71(17) 2_655 . ? O2 Al2 O3 179.2(3) . . ? O4 Al2 O1 174.52(17) 3_665 . ? O4 Al2 O1 92.8(2) 2_655 . ? O2 Al2 O1 95.43(18) . . ? O3 Al2 O1 83.98(19) . . ? O4 Al2 O1 92.8(2) 3_665 3 ? O4 Al2 O1 174.52(17) 2_655 3 ? O2 Al2 O1 95.43(18) . 3 ? O3 Al2 O1 83.98(19) . 3 ? O1 Al2 O1 81.9(2) . 3 ? O1 Fe3 O1 111.79(13) 9_656 7_666 ? O1 Fe3 O1 111.79(13) 9_656 8_556 ? O1 Fe3 O1 111.79(12) 7_666 8_556 ? O1 Fe3 O2 107.04(14) 9_656 . ? O1 Fe3 O2 107.04(14) 7_666 . ? O1 Fe3 O2 107.04(14) 8_556 . ? O1 Fe3 O4 105.58(17) 9_656 8_566 ? O1 Fe3 O4 59.70(12) 7_666 8_566 ? O1 Fe3 O4 59.70(11) 8_556 8_566 ? O2 Fe3 O4 147.38(8) . 8_566 ? O1 Fe3 O4 59.70(12) 9_656 7_766 ? O1 Fe3 O4 59.70(11) 7_666 7_766 ? O1 Fe3 O4 105.59(17) 8_556 7_766 ? O2 Fe3 O4 147.38(8) . 7_766 ? O4 Fe3 O4 55.66(13) 8_566 7_766 ? O6 Fe4 O6 111.43(15) 2 . ? O6 Fe4 O6 111.43(15) 2 3 ? O6 Fe4 O6 111.43(15) . 3 ? O6 Fe4 O3 107.44(17) 2 . ? O6 Fe4 O3 107.44(17) . . ? O6 Fe4 O3 107.44(17) 3 . ? O6 Fe4 Al2 137.66(18) 2 . ? O6 Fe4 Al2 91.08(15) . . ? O6 Fe4 Al2 91.08(15) 3 . ? O3 Fe4 Al2 30.22(4) . . ? O6 Fe4 Al2 91.08(15) 2 2 ? O6 Fe4 Al2 91.08(15) . 2 ? O6 Fe4 Al2 137.66(18) 3 2 ? O3 Fe4 Al2 30.22(4) . 2 ? Al2 Fe4 Al2 51.69(6) . 2 ? O5 Al5 O5 180.0 . 7_655 ? O5 Al5 O6 85.18(18) . 9_655 ? O5 Al5 O6 94.82(18) 7_655 9_655 ? O5 Al5 O6 94.82(18) . 3 ? O5 Al5 O6 85.18(18) 7_655 3 ? O6 Al5 O6 180.0(3) 9_655 3 ? O5 Al5 O6 85.18(18) . 8 ? O5 Al5 O6 94.82(18) 7_655 8 ? O6 Al5 O6 85.7(3) 9_655 8 ? O6 Al5 O6 94.3(3) 3 8 ? O5 Al5 O6 94.82(18) . 2_655 ? O5 Al5 O6 85.18(18) 7_655 2_655 ? O6 Al5 O6 94.3(3) 9_655 2_655 ? O6 Al5 O6 85.7(3) 3 2_655 ? O6 Al5 O6 180.0(3) 8 2_655 ? O4 Sn6 O4 96.92(18) 2_655 3_675 ? O4 Sn6 O4 96.92(18) 2_655 1_455 ? O4 Sn6 O4 96.92(18) 3_675 1_455 ? O4 Sn6 O6 167.81(18) 2_655 3_565 ? O4 Sn6 O6 91.14(15) 3_675 3_565 ? O4 Sn6 O6 91.14(15) 1_455 3_565 ? O4 Sn6 O6 91.14(15) 2_655 . ? O4 Sn6 O6 167.81(18) 3_675 . ? O4 Sn6 O6 91.14(15) 1_455 . ? O6 Sn6 O6 79.5(2) 3_565 . ? O4 Sn6 O6 91.14(15) 2_655 2_665 ? O4 Sn6 O6 91.14(15) 3_675 2_665 ? O4 Sn6 O6 167.81(18) 1_455 2_665 ? O6 Sn6 O6 79.5(2) 3_565 2_665 ? O6 Sn6 O6 79.5(2) . 2_665 ? Al1 O1 Al3 124.1(2) . 7_666 ? Al1 O1 Zn3 124.1(2) . 7_666 ? Al3 O1 Zn3 0.00(11) 7_666 7_666 ? Al1 O1 Fe3 124.1(2) . 7_666 ? Al3 O1 Fe3 0.00(11) 7_666 7_666 ? Zn3 O1 Fe3 0.00(11) 7_666 7_666 ? Al1 O1 Al2 96.41(16) . 2 ? Al3 O1 Al2 119.26(15) 7_666 2 ? Zn3 O1 Al2 119.26(15) 7_666 2 ? Fe3 O1 Al2 119.26(15) 7_666 2 ? Al1 O1 Al2 96.41(16) . . ? Al3 O1 Al2 119.26(15) 7_666 . ? Zn3 O1 Al2 119.26(15) 7_666 . ? Fe3 O1 Al2 119.26(15) 7_666 . ? Al2 O1 Al2 95.1(2) 2 . ? Al1 O1 Al2 58.96(11) . 3 ? Al3 O1 Al2 176.9(2) 7_666 3 ? Zn3 O1 Al2 176.9(2) 7_666 3 ? Fe3 O1 Al2 176.9(2) 7_666 3 ? Al2 O1 Al2 59.14(12) 2 3 ? Al2 O1 Al2 59.14(12) . 3 ? Al1 O1 Fe3 72.60(8) . . ? Al3 O1 Fe3 78.15(10) 7_666 . ? Zn3 O1 Fe3 78.15(10) 7_666 . ? Fe3 O1 Fe3 78.15(10) 7_666 . ? Al2 O1 Fe3 162.53(18) 2 . ? Al2 O1 Fe3 73.30(7) . . ? Al2 O1 Fe3 103.40(8) 3 . ? Al1 O1 Fe3 72.60(8) . 1_455 ? Al3 O1 Fe3 78.15(10) 7_666 1_455 ? Zn3 O1 Fe3 78.15(10) 7_666 1_455 ? Fe3 O1 Fe3 78.15(10) 7_666 1_455 ? Al2 O1 Fe3 73.30(7) 2 1_455 ? Al2 O1 Fe3 162.53(18) . 1_455 ? Al2 O1 Fe3 103.40(8) 3 1_455 ? Fe3 O1 Fe3 114.54(12) . 1_455 ? Al2 O2 Al2 95.0(3) 2_655 3_665 ? Al2 O2 Al2 95.0(3) 2_655 . ? Al2 O2 Al2 95.0(3) 3_665 . ? Al2 O2 Fe3 121.6(2) 2_655 . ? Al2 O2 Fe3 121.6(2) 3_665 . ? Al2 O2 Fe3 121.6(2) . . ? Al2 O2 Fe3 160.4(3) 2_655 7_666 ? Al2 O2 Fe3 72.11(3) 3_665 7_666 ? Al2 O2 Fe3 72.11(3) . 7_666 ? Fe3 O2 Fe3 77.97(13) . 7_666 ? Al2 O2 Fe3 72.11(3) 2_655 7_766 ? Al2 O2 Fe3 72.11(3) 3_665 7_766 ? Al2 O2 Fe3 160.4(3) . 7_766 ? Fe3 O2 Fe3 77.97(13) . 7_766 ? Fe3 O2 Fe3 115.77(9) 7_666 7_766 ? Al2 O2 Fe3 72.11(3) 2_655 7_656 ? Al2 O2 Fe3 160.4(3) 3_665 7_656 ? Al2 O2 Fe3 72.11(3) . 7_656 ? Fe3 O2 Fe3 77.97(13) . 7_656 ? Fe3 O2 Fe3 115.77(9) 7_666 7_656 ? Fe3 O2 Fe3 115.77(9) 7_766 7_656 ? Fe4 O3 Al2 120.8(2) . . ? Fe4 O3 Al2 120.8(2) . 3 ? Al2 O3 Al2 96.1(3) . 3 ? Fe4 O3 Al2 120.8(2) . 2 ? Al2 O3 Al2 96.1(3) . 2 ? Al2 O3 Al2 96.1(3) 3 2 ? Fe4 O3 Al1 180.0 . . ? Al2 O3 Al1 59.2(2) . . ? Al2 O3 Al1 59.2(2) 3 . ? Al2 O3 Al1 59.2(2) 2 . ? Fe4 O3 Sn6 73.14(14) . 1_445 ? Al2 O3 Sn6 166.0(4) . 1_445 ? Al2 O3 Sn6 74.80(4) 3 1_445 ? Al2 O3 Sn6 74.80(4) 2 1_445 ? Al1 O3 Sn6 106.86(14) . 1_445 ? Fe4 O3 Sn6 73.14(14) . . ? Al2 O3 Sn6 74.79(4) . . ? Al2 O3 Sn6 166.0(4) 3 . ? Al2 O3 Sn6 74.80(4) 2 . ? Al1 O3 Sn6 106.86(14) . . ? Sn6 O3 Sn6 111.95(12) 1_445 . ? Fe4 O3 Sn6 73.14(14) . 1_545 ? Al2 O3 Sn6 74.80(4) . 1_545 ? Al2 O3 Sn6 74.80(4) 3 1_545 ? Al2 O3 Sn6 166.0(4) 2 1_545 ? Al1 O3 Sn6 106.86(14) . 1_545 ? Sn6 O3 Sn6 111.95(12) 1_445 1_545 ? Sn6 O3 Sn6 111.95(12) . 1_545 ? Al2 O4 Al2 97.3(2) 3_665 2_655 ? Al2 O4 Al6 127.65(14) 3_665 1_655 ? Al2 O4 Al6 127.65(14) 2_655 1_655 ? Al2 O4 Sn6 127.65(14) 3_665 1_655 ? Al2 O4 Sn6 127.65(14) 2_655 1_655 ? Al6 O4 Sn6 0.00(4) 1_655 1_655 ? Al2 O4 H1 95.82(17) 3_665 . ? Al2 O4 H1 95.82(17) 2_655 . ? Al6 O4 H1 103.59(19) 1_655 . ? Sn6 O4 H1 103.59(19) 1_655 . ? Al2 O4 O5 103.99(17) 3_665 . ? Al2 O4 O5 103.99(17) 2_655 . ? Al6 O4 O5 90.96(17) 1_655 . ? Sn6 O4 O5 90.96(17) 1_655 . ? H1 O4 O5 12.63(9) . . ? Al2 O4 Fe3 76.94(14) 3_665 7_766 ? Al2 O4 Fe3 76.94(14) 2_655 7_766 ? Al6 O4 Fe3 87.58(16) 1_655 7_766 ? Sn6 O4 Fe3 87.58(16) 1_655 7_766 ? H1 O4 Fe3 168.84(19) . 7_766 ? O5 O4 Fe3 178.53(18) . 7_766 ? Al2 O4 Al2 57.44(12) 3_665 . ? Al2 O4 Al2 57.44(12) 2_655 . ? Al6 O4 Al2 167.0(2) 1_655 . ? Sn6 O4 Al2 167.0(2) 1_655 . ? H1 O4 Al2 63.37(11) . . ? O5 O4 Al2 76.00(13) . . ? Fe3 O4 Al2 105.47(12) 7_766 . ? Al2 O4 Fe4 70.66(7) 3_665 1_665 ? Al2 O4 Fe4 157.6(2) 2_655 1_665 ? Al6 O4 Fe4 72.84(9) 1_655 1_665 ? Sn6 O4 Fe4 72.84(9) 1_655 1_665 ? H1 O4 Fe4 67.68(8) . 1_665 ? O5 O4 Fe4 62.81(8) . 1_665 ? Fe3 O4 Fe4 116.68(9) 7_766 1_665 ? Al2 O4 Fe4 100.55(9) . 1_665 ? Al2 O4 Fe4 157.6(2) 3_665 1_655 ? Al2 O4 Fe4 70.66(7) 2_655 1_655 ? Al6 O4 Fe4 72.84(9) 1_655 1_655 ? Sn6 O4 Fe4 72.84(9) 1_655 1_655 ? H1 O4 Fe4 67.68(8) . 1_655 ? O5 O4 Fe4 62.81(8) . 1_655 ? Fe3 O4 Fe4 116.68(9) 7_766 1_655 ? Al2 O4 Fe4 100.55(9) . 1_655 ? Fe4 O4 Fe4 113.52(14) 1_665 1_655 ? H1 O5 Al5 120.6(2) . . ? H1 O5 Li5 120.6(2) . 2_655 ? Al5 O5 Li5 96.4(3) . 2_655 ? H1 O5 Al5 120.6(2) . 2_655 ? Al5 O5 Al5 96.4(3) . 2_655 ? Li5 O5 Al5 0.0 2_655 2_655 ? H1 O5 Li5 120.6(2) . 3_665 ? Al5 O5 Li5 96.4(3) . 3_665 ? Li5 O5 Li5 96.4(3) 2_655 3_665 ? Al5 O5 Li5 96.4(3) 2_655 3_665 ? H1 O5 Al5 120.6(2) . 3_665 ? Al5 O5 Al5 96.4(3) . 3_665 ? Li5 O5 Al5 96.4(3) 2_655 3_665 ? Al5 O5 Al5 96.4(3) 2_655 3_665 ? Li5 O5 Al5 0.0 3_665 3_665 ? H1 O5 O4 31.16(12) . . ? Al5 O5 O4 131.13(19) . . ? Li5 O5 O4 89.40(16) 2_655 . ? Al5 O5 O4 89.40(16) 2_655 . ? Li5 O5 O4 131.13(19) 3_665 . ? Al5 O5 O4 131.13(19) 3_665 . ? H1 O5 Fe4 77.52(14) . . ? Al5 O5 Fe4 71.91(3) . . ? Li5 O5 Fe4 161.9(4) 2_655 . ? Al5 O5 Fe4 161.9(4) 2_655 . ? Li5 O5 Fe4 71.91(3) 3_665 . ? Al5 O5 Fe4 71.91(3) 3_665 . ? O4 O5 Fe4 108.7(2) . . ? H1 O5 Fe4 77.52(14) . 1_655 ? Al5 O5 Fe4 71.91(3) . 1_655 ? Li5 O5 Fe4 71.91(3) 2_655 1_655 ? Al5 O5 Fe4 71.91(3) 2_655 1_655 ? Li5 O5 Fe4 161.9(4) 3_665 1_655 ? Al5 O5 Fe4 161.9(4) 3_665 1_655 ? O4 O5 Fe4 64.06(10) . 1_655 ? Fe4 O5 Fe4 115.47(10) . 1_655 ? H1 O5 Fe4 77.52(14) . 1_665 ? Al5 O5 Fe4 161.9(4) . 1_665 ? Li5 O5 Fe4 71.91(3) 2_655 1_665 ? Al5 O5 Fe4 71.91(3) 2_655 1_665 ? Li5 O5 Fe4 71.91(3) 3_665 1_665 ? Al5 O5 Fe4 71.91(3) 3_665 1_665 ? O4 O5 Fe4 64.06(10) . 1_665 ? Fe4 O5 Fe4 115.47(10) . 1_665 ? Fe4 O5 Fe4 115.47(10) 1_655 1_665 ? H1 O5 H1 0.0 . . ? Al5 O5 H1 120.6(2) . . ? Li5 O5 H1 120.6(2) 2_655 . ? Al5 O5 H1 120.6(2) 2_655 . ? Li5 O5 H1 120.6(2) 3_665 . ? Al5 O5 H1 120.6(2) 3_665 . ? O4 O5 H1 31.16(12) . . ? Fe4 O5 H1 77.52(14) . . ? Fe4 O5 H1 77.52(14) 1_655 . ? Fe4 O5 H1 77.52(14) 1_665 . ? Fe4 O6 Li5 121.71(18) . 3_665 ? Fe4 O6 Al5 121.71(18) . 3_665 ? Li5 O6 Al5 0.0 3_665 3_665 ? Fe4 O6 Li5 121.71(18) . 2 ? Li5 O6 Li5 92.7(2) 3_665 2 ? Al5 O6 Li5 92.7(2) 3_665 2 ? Fe4 O6 Al5 121.71(18) . 2 ? Li5 O6 Al5 92.7(2) 3_665 2 ? Al5 O6 Al5 92.7(2) 3_665 2 ? Li5 O6 Al5 0.0 2 2 ? Fe4 O6 Sn6 120.2(3) . . ? Li5 O6 Sn6 97.06(19) 3_665 . ? Al5 O6 Sn6 97.06(19) 3_665 . ? Li5 O6 Sn6 97.06(19) 2 . ? Al5 O6 Sn6 97.06(19) 2 . ? Fe4 O6 Fe4 75.98(19) . 7 ? Li5 O6 Fe4 72.12(13) 3_665 7 ? Al5 O6 Fe4 72.12(13) 3_665 7 ? Li5 O6 Fe4 72.12(13) 2 7 ? Al5 O6 Fe4 72.12(13) 2 7 ? Sn6 O6 Fe4 163.9(2) . 7 ? Fe4 O6 Al5 177.6(2) . 1_565 ? Li5 O6 Al5 57.05(13) 3_665 1_565 ? Al5 O6 Al5 57.05(13) 3_665 1_565 ? Li5 O6 Al5 57.05(13) 2 1_565 ? Al5 O6 Al5 57.05(13) 2 1_565 ? Sn6 O6 Al5 62.23(13) . 1_565 ? Fe4 O6 Al5 101.62(13) 7 1_565 ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 27.40 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 2.271 _refine_diff_density_min -1.231 _refine_diff_density_rms 0.212