data_lond2 _symmetry_space_group_name_hall 'P -4 2 3' #Added by publCIF _audit_update_record ; 2010-03-22 # Formatted by publCIF ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; Caesium potassium aluminium berillium borate ; _chemical_name_common borate _chemical_melting_point ? _chemical_formula_moiety 'Al4 B10.80 Be4.84 Cs0.55 H K0.33 O28' _chemical_formula_sum 'Al4 B10.80 Be4.84 Cs0.55 H K0.33 O28' _chemical_formula_weight 803.29 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' 'Be' 'Be' 0.0005 0.0002 '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' 'Cs' 'Cs' -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'K' 'K' 0.2009 0.2494 '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 cubic _symmetry_space_group_name_H-M 'P -4 3 m' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, -z' '-x, -y, z' '-x, y, -z' 'y, -x, -z' '-y, -x, z' '-y, x, -z' 'y, x, z' 'y, z, x' '-y, -z, x' 'y, -z, -x' '-y, z, -x' 'z, -y, -x' 'z, y, x' '-z, y, -x' '-z, -y, x' 'z, x, y' '-z, x, -y' '-z, -x, y' 'z, -x, -y' 'x, z, y' 'x, -z, -y' '-x, z, -y' '-x, -z, y' _cell_length_a 7.3149(7) _cell_length_b 7.3149(7) _cell_length_c 7.3149(7) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 391.40(6) _cell_formula_units_Z 1 _cell_measurement_temperature 193(2) _cell_measurement_reflns_used 254 _cell_measurement_theta_min 2.78 _cell_measurement_theta_max 29.86 _exptl_crystal_description octahedron _exptl_crystal_colour colourless _exptl_crystal_size_max 0.37 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.24 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 3.408 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 387 _exptl_absorpt_coefficient_mu 1.840 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.519 _exptl_absorpt_correction_T_max 0.630 _exptl_absorpt_process_details Gaussian _exptl_special_details ; ? ; _diffrn_ambient_temperature 193(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 'Stoe IPDS-II diffractometer' _diffrn_measurement_method 'omega scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 4529 _diffrn_reflns_av_R_equivalents 0.0535 _diffrn_reflns_av_sigmaI/netI 0.0158 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_theta_min 2.78 _diffrn_reflns_theta_max 29.86 _reflns_number_total 254 _reflns_number_gt 247 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Win-XPOSE in X-AREA (Stoe & Cie, 2000)' _computing_cell_refinement 'Win-CELL in X-AREA' _computing_data_reduction 'Win-INTEGRATE in X-AREA' _computing_structure_solution SHELXS97 _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'DIAMOND (Brandenburg, 2006)' _computing_publication_material 'publCIF (Westrip, 2009)' _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^)+(0.0290P)^2^+0.0000P] 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 none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.04(3) _refine_ls_number_reflns 254 _refine_ls_number_parameters 33 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0211 _refine_ls_R_factor_gt 0.0203 _refine_ls_wR_factor_ref 0.0435 _refine_ls_wR_factor_gt 0.0433 _refine_ls_goodness_of_fit_ref 1.211 _refine_ls_restrained_S_all 1.211 _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 Cs Cs 0.5000 0.5000 0.5000 0.0146(8) Uani 0.553(14) 24 d SP . . K K 0.460(3) 0.460(3) 0.460(3) 0.0146(6) Uani 0.083(10) 6 d SP . . Al Al 0.85964(8) 0.85964(8) 0.85964(8) 0.0032(3) Uani 1 6 d S . . B B 0.5000 0.7482(3) 1.0000 0.0029(6) Uani 0.90(8) 2 d SP . . Be1 Be 0.5000 0.7482(3) 1.0000 0.0029(6) Uani 0.10(8) 2 d SP . . Be Be 0.2415(4) 0.7585(4) 0.7585(4) 0.0050(15) Uani 0.91(3) 6 d SP . . O3 O 0.36488(13) 0.63512(13) 0.9004(2) 0.0040(3) Uani 1 2 d S . . O2 O 0.5995(2) 0.86343(13) 0.86343(13) 0.0033(3) Uani 1 2 d S . . O1 O 1.1185(2) 0.8815(2) 0.8815(2) 0.0040(5) Uani 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 Cs 0.0146(8) 0.0146(8) 0.0146(8) 0.000 0.000 0.000 K 0.0146(6) 0.0146(6) 0.0146(6) 0.000 0.000 0.000 Al 0.0032(3) 0.0032(3) 0.0032(3) 0.0002(2) 0.0002(2) 0.0002(2) B 0.0033(9) 0.0025(9) 0.0028(8) 0.000 -0.0008(9) 0.000 Be1 0.0033(9) 0.0025(9) 0.0028(8) 0.000 -0.0008(9) 0.000 Be 0.0050(15) 0.0050(15) 0.0050(15) 0.0023(10) -0.0023(10) -0.0023(10) O3 0.0034(4) 0.0034(4) 0.0051(6) 0.0001(3) -0.0001(3) -0.0005(5) O2 0.0025(6) 0.0037(4) 0.0037(4) 0.0001(5) 0.0000(3) 0.0000(3) O1 0.0040(5) 0.0040(5) 0.0040(5) -0.0002(5) 0.0002(5) 0.0002(5) _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 Cs K 0.50(4) 2_566 n Cs K 0.50(4) . n Cs K 0.50(4) 4_656 n Cs K 0.50(4) 3_665 n Cs O3 3.2456(15) 16_665 n Cs O3 3.2456(15) 12_656 n Cs O3 3.2456(15) 14 n Cs O3 3.2456(15) 13_566 n Cs O3 3.2456(15) 9 n Cs O3 3.2456(15) . y Cs O3 3.2456(15) 10_665 n Cs O3 3.2456(15) 3_665 n K K 0.82(6) 2_566 n K K 0.82(6) 4_656 n K K 0.82(6) 3_665 n K Be 2.77(4) 2_566 n K O3 2.82(3) 16_665 n K O3 2.82(3) 10_665 n K O3 2.82(3) 2_566 y K O3 3.1990(16) 15_656 n K O3 3.1990(16) 11_566 n K O3 3.1990(16) 4_656 y K Be 3.475(17) 4_656 n Al O2 1.9037(15) . y Al O2 1.9037(15) 8 n Al O2 1.9037(15) 9 n Al O1 1.9073(14) 4_757 n Al O1 1.9073(14) 3_775 n Al O1 1.9073(14) . y Al Al 2.9040(17) 2_577 n Al Al 2.9040(17) 3_775 n Al Al 2.9040(17) 4_757 n B O3 1.4802(15) . y B O3 1.4802(15) 4_657 n B O2 1.4960(15) 4_657 n B O2 1.4960(15) . y Be O1 1.557(5) 1_455 y Be O3 1.645(2) 15_656 n Be O3 1.645(2) . y Be O3 1.645(2) 12_656 n Be Be1 2.5888(3) 21 n Be Be1 2.5888(3) 17_455 n Be Be1 2.5888(3) 14_455 n Be Be1 2.5888(3) 6_665 n Be Be1 2.5888(3) 10_675 n Be K 2.77(4) 2_566 n O3 Be1 1.4802(15) 6_665 n O3 B 1.4802(15) 6_665 n O3 K 2.82(3) 2_566 n O3 K 3.1990(16) 4_656 n O2 Be1 1.4960(15) 21 n O2 B 1.4960(15) 21 n O1 Be 1.557(5) 1_655 n O1 Al 1.9073(14) 4_757 n O1 Al 1.9073(14) 3_775 n 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 K Cs K 109.469(3) 2_566 . n K Cs K 109.472(7) 2_566 4_656 n K Cs K 109.472(1) . 4_656 n K Cs K 109.47(3) 2_566 3_665 n K Cs K 109.472(16) . 3_665 n K Cs K 109.47(4) 4_656 3_665 n K Cs O3 80.25(3) 2_566 16_665 n K Cs O3 29.22(3) . 16_665 n K Cs O3 121.404(7) 4_656 16_665 n K Cs O3 121.404(8) 3_665 16_665 n K Cs O3 29.23(3) 2_566 12_656 n K Cs O3 121.403(8) . 12_656 n K Cs O3 121.404(13) 4_656 12_656 n K Cs O3 80.25(2) 3_665 12_656 n O3 Cs O3 95.321(10) 16_665 12_656 n K Cs O3 121.404(19) 2_566 14 n K Cs O3 121.404(16) . 14 n K Cs O3 80.25(3) 4_656 14 n K Cs O3 29.22(3) 3_665 14 n O3 Cs O3 144.54(3) 16_665 14 n O3 Cs O3 95.321(10) 12_656 14 n K Cs O3 121.404(16) 2_566 13_566 n K Cs O3 121.404(14) . 13_566 n K Cs O3 29.22(3) 4_656 13_566 n K Cs O3 80.25(3) 3_665 13_566 n O3 Cs O3 144.54(3) 16_665 13_566 n O3 Cs O3 117.190(14) 12_656 13_566 n O3 Cs O3 51.02(5) 14 13_566 n K Cs O3 80.25(3) 2_566 9 n K Cs O3 121.403(14) . 9 n K Cs O3 121.403(19) 4_656 9 n K Cs O3 29.23(2) 3_665 9 n O3 Cs O3 117.190(14) 16_665 9 n O3 Cs O3 51.02(5) 12_656 9 n O3 Cs O3 50.03(4) 14 9 n O3 Cs O3 95.321(10) 13_566 9 n K Cs O3 29.23(2) 2_566 . n K Cs O3 121.403(8) . . n K Cs O3 80.25(3) 4_656 . n K Cs O3 121.404(12) 3_665 . n O3 Cs O3 95.321(10) 16_665 . n O3 Cs O3 50.03(4) 12_656 . n O3 Cs O3 117.190(14) 14 . n O3 Cs O3 95.321(10) 13_566 . n O3 Cs O3 95.321(10) 9 . n K Cs O3 121.403(7) 2_566 10_665 n K Cs O3 29.23(2) . 10_665 n K Cs O3 80.25(3) 4_656 10_665 n K Cs O3 121.403(8) 3_665 10_665 n O3 Cs O3 50.03(4) 16_665 10_665 n O3 Cs O3 144.54(3) 12_656 10_665 n O3 Cs O3 117.190(14) 14 10_665 n O3 Cs O3 95.321(10) 13_566 10_665 n O3 Cs O3 144.54(3) 9 10_665 n O3 Cs O3 117.190(14) . 10_665 n K Cs O3 80.25(2) 2_566 3_665 n K Cs O3 121.403(8) . 3_665 n K Cs O3 29.23(2) 4_656 3_665 n K Cs O3 121.403(16) 3_665 3_665 n O3 Cs O3 117.190(14) 16_665 3_665 n O3 Cs O3 95.321(10) 12_656 3_665 n O3 Cs O3 95.321(9) 14 3_665 n O3 Cs O3 50.03(4) 13_566 3_665 n O3 Cs O3 117.190(14) 9 3_665 n O3 Cs O3 51.02(5) . 3_665 n O3 Cs O3 95.321(10) 10_665 3_665 n Cs K K 35.265(3) . 2_566 n Cs K K 35.264(3) . 4_656 n K K K 60.001(4) 2_566 4_656 n Cs K K 35.264(1) . 3_665 n K K K 60.001(7) 2_566 3_665 n K K K 59.999(7) 4_656 3_665 n Cs K Be 180(2) . 2_566 n K K Be 144.736(2) 2_566 2_566 n K K Be 144.735(4) 4_656 2_566 n K K Be 144.735(5) 3_665 2_566 n Cs K O3 145.8(4) . 16_665 n K K O3 110.5(4) 2_566 16_665 n K K O3 146.88(17) 4_656 16_665 n K K O3 146.88(16) 3_665 16_665 n Be K O3 34.2(4) 2_566 16_665 n Cs K O3 145.8(4) . 10_665 n K K O3 146.88(17) 2_566 10_665 n K K O3 110.5(4) 4_656 10_665 n K K O3 146.88(16) 3_665 10_665 n Be K O3 34.2(4) 2_566 10_665 n O3 K O3 58.3(7) 16_665 10_665 n Cs K O3 145.8(4) . 2_566 n K K O3 146.88(16) 2_566 2_566 n K K O3 146.88(16) 4_656 2_566 n K K O3 110.5(4) 3_665 2_566 n Be K O3 34.2(4) 2_566 2_566 n O3 K O3 58.3(7) 16_665 2_566 n O3 K O3 58.3(7) 10_665 2_566 n Cs K O3 90.9(6) . 15_656 n K K O3 55.6(6) 2_566 15_656 n K K O3 107.5(6) 4_656 15_656 n K K O3 107.5(6) 3_665 15_656 n Be K O3 89.1(6) 2_566 15_656 n O3 K O3 54.9(2) 16_665 15_656 n O3 K O3 105.6(7) 10_665 15_656 n O3 K O3 105.6(7) 2_566 15_656 n Cs K O3 90.9(6) . 11_566 n K K O3 107.5(5) 2_566 11_566 n K K O3 55.6(6) 4_656 11_566 n K K O3 107.5(5) 3_665 11_566 n Be K O3 89.1(6) 2_566 11_566 n O3 K O3 105.6(7) 16_665 11_566 n O3 K O3 54.9(2) 10_665 11_566 n O3 K O3 105.6(7) 2_566 11_566 n O3 K O3 119.98(3) 15_656 11_566 n Cs K O3 90.9(6) . 4_656 n K K O3 107.5(5) 2_566 4_656 n K K O3 107.5(5) 4_656 4_656 n K K O3 55.6(6) 3_665 4_656 n Be K O3 89.1(6) 2_566 4_656 n O3 K O3 105.6(7) 16_665 4_656 n O3 K O3 105.6(7) 10_665 4_656 n O3 K O3 54.9(2) 2_566 4_656 n O3 K O3 119.98(3) 15_656 4_656 n O3 K O3 119.98(3) 11_566 4_656 n Cs K Be 62.7(5) . 4_656 n K K Be 83.2(4) 2_566 4_656 n K K Be 83.2(4) 4_656 4_656 n K K Be 27.4(5) 3_665 4_656 n Be K Be 117.3(5) 2_566 4_656 n O3 K Be 129.0(5) 16_665 4_656 n O3 K Be 129.0(5) 10_665 4_656 n O3 K Be 83.08(12) 2_566 4_656 n O3 K Be 116.8(5) 15_656 4_656 n O3 K Be 116.8(5) 11_566 4_656 n O3 K Be 28.16(12) 4_656 4_656 n O2 Al O2 91.66(7) . 8 n O2 Al O2 91.66(7) . 9 n O2 Al O2 91.66(7) 8 9 n O2 Al O1 93.90(6) . 4_757 n O2 Al O1 93.90(6) 8 4_757 n O2 Al O1 172.02(10) 9 4_757 n O2 Al O1 93.90(6) . 3_775 n O2 Al O1 172.02(10) 8 3_775 n O2 Al O1 93.90(6) 9 3_775 n O1 Al O1 80.03(12) 4_757 3_775 n O2 Al O1 172.02(10) . . n O2 Al O1 93.90(6) 8 . n O2 Al O1 93.90(6) 9 . n O1 Al O1 80.03(12) 4_757 . n O1 Al O1 80.03(12) 3_775 . n O2 Al Al 88.82(5) . 2_577 n O2 Al Al 134.16(4) 8 2_577 n O2 Al Al 134.16(4) 9 2_577 n O1 Al Al 40.42(5) 4_757 2_577 n O1 Al Al 40.42(5) 3_775 2_577 n O1 Al Al 83.20(8) . 2_577 n O2 Al Al 134.16(4) . 3_775 n O2 Al Al 134.16(4) 8 3_775 n O2 Al Al 88.82(5) 9 3_775 n O1 Al Al 83.20(8) 4_757 3_775 n O1 Al Al 40.42(5) 3_775 3_775 n O1 Al Al 40.42(5) . 3_775 n Al Al Al 60.0 2_577 3_775 n O2 Al Al 134.16(4) . 4_757 n O2 Al Al 88.82(5) 8 4_757 n O2 Al Al 134.16(4) 9 4_757 n O1 Al Al 40.42(5) 4_757 4_757 n O1 Al Al 83.20(8) 3_775 4_757 n O1 Al Al 40.42(5) . 4_757 n Al Al Al 60.0 2_577 4_757 n Al Al Al 60.0 3_775 4_757 n O3 B O3 112.08(15) . 4_657 n O3 B O2 108.58(7) . 4_657 n O3 B O2 108.12(7) 4_657 4_657 n O3 B O2 108.12(7) . . n O3 B O2 108.58(7) 4_657 . n O2 B O2 111.39(14) 4_657 . n O1 Be O3 105.62(16) 1_455 15_656 n O1 Be O3 105.62(16) 1_455 . n O3 Be O3 113.03(14) 15_656 . n O1 Be O3 105.62(16) 1_455 12_656 n O3 Be O3 113.03(14) 15_656 12_656 n O3 Be O3 113.03(14) . 12_656 n O1 Be Be1 92.57(10) 1_455 21 n O3 Be Be1 144.99(13) 15_656 21 n O3 Be Be1 89.54(4) . 21 n O3 Be Be1 32.08(5) 12_656 21 n O1 Be Be1 92.57(10) 1_455 17_455 n O3 Be Be1 32.08(5) 15_656 17_455 n O3 Be Be1 89.54(4) . 17_455 n O3 Be Be1 144.99(13) 12_656 17_455 n Be1 Be Be1 174.8(2) 21 17_455 n O1 Be Be1 92.57(10) 1_455 14_455 n O3 Be Be1 32.08(5) 15_656 14_455 n O3 Be Be1 144.99(13) . 14_455 n O3 Be Be1 89.54(4) 12_656 14_455 n Be1 Be Be1 119.801(16) 21 14_455 n Be1 Be Be1 59.45(7) 17_455 14_455 n O1 Be Be1 92.57(10) 1_455 6_665 n O3 Be Be1 89.54(4) 15_656 6_665 n O3 Be Be1 32.08(5) . 6_665 n O3 Be Be1 144.99(13) 12_656 6_665 n Be1 Be Be1 119.801(16) 21 6_665 n Be1 Be Be1 60.42(7) 17_455 6_665 n Be1 Be Be1 119.801(16) 14_455 6_665 n O1 Be Be1 92.57(10) 1_455 10_675 n O3 Be Be1 89.54(4) 15_656 10_675 n O3 Be Be1 144.99(13) . 10_675 n O3 Be Be1 32.08(5) 12_656 10_675 n Be1 Be Be1 59.45(7) 21 10_675 n Be1 Be Be1 119.801(16) 17_455 10_675 n Be1 Be Be1 60.42(7) 14_455 10_675 n Be1 Be Be1 174.8(2) 6_665 10_675 n O1 Be K 180.0(4) 1_455 2_566 n O3 Be K 74.38(16) 15_656 2_566 n O3 Be K 74.38(16) . 2_566 n O3 Be K 74.38(16) 12_656 2_566 n Be1 Be K 87.43(10) 21 2_566 n Be1 Be K 87.43(10) 17_455 2_566 n Be1 Be K 87.43(10) 14_455 2_566 n Be1 Be K 87.43(10) 6_665 2_566 n Be1 Be K 87.43(10) 10_675 2_566 n O1 Be Cs 180.00(13) 1_455 . n O3 Be Cs 74.38(16) 15_656 . n O3 Be Cs 74.38(16) . . n O3 Be Cs 74.38(16) 12_656 . n Be1 Be Cs 87.43(10) 21 . n Be1 Be Cs 87.43(10) 17_455 . n Be1 Be Cs 87.43(10) 14_455 . n Be1 Be Cs 87.43(10) 6_665 . n Be1 Be Cs 87.43(10) 10_675 . n K Be Cs 0.0(3) 2_566 . n B O3 Be1 120.26(10) . 6_665 n B O3 B 120.26(10) . 6_665 n Be1 O3 B 0.00(13) 6_665 6_665 n B O3 Be 111.73(10) . . n Be1 O3 Be 111.73(10) 6_665 . n B O3 Be 111.73(10) 6_665 . n B O3 K 115.71(12) . 2_566 n Be1 O3 K 115.71(12) 6_665 2_566 n B O3 K 115.71(12) 6_665 2_566 n Be O3 K 71.4(4) . 2_566 n B O3 K 111.2(2) . 4_656 n Be1 O3 K 111.2(2) 6_665 4_656 n B O3 K 111.2(2) 6_665 4_656 n Be O3 K 85.3(7) . 4_656 n K O3 K 13.9(11) 2_566 4_656 n B O3 Cs 114.26(5) . . n Be1 O3 Cs 114.26(5) 6_665 . n B O3 Cs 114.26(5) 6_665 . n Be O3 Cs 76.40(16) . . n K O3 Cs 5.0(4) 2_566 . n K O3 Cs 8.9(6) 4_656 . n B O2 Be1 121.08(10) . 21 n B O2 B 121.08(10) . 21 n Be1 O2 B 0.0 21 21 n B O2 Al 119.19(5) . . n Be1 O2 Al 119.19(5) 21 . n B O2 Al 119.19(5) 21 . n Be O1 Al 118.47(8) 1_655 4_757 n Be O1 Al 118.47(8) 1_655 3_775 n Al O1 Al 99.16(10) 4_757 3_775 n Be O1 Al 118.47(8) 1_655 . n Al O1 Al 99.16(10) 4_757 . n Al O1 Al 99.16(10) 3_775 . n _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 29.86 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.324 _refine_diff_density_min -0.236 _refine_diff_density_rms 0.100