data_gakint _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H18 Al5.82 Ca0.34 Ga3.18 O42 P6 Pb2.66' _chemical_formula_weight 1820.26 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' 'Ga' 'Ga' 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pb' 'Pb' -3.3944 10.1111 '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' 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca' 'Ca' 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'As' 'As' 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M R-3m 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+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'y+2/3, x+1/3, -z+1/3' 'x-y+2/3, -y+1/3, -z+1/3' '-x+2/3, -x+y+1/3, -z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'y+1/3, x+2/3, -z+2/3' 'x-y+1/3, -y+2/3, -z+2/3' '-x+1/3, -x+y+2/3, -z+2/3' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z' '-x+y, y, z' 'x, x-y, z' '-x+2/3, -y+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x-y+2/3, x+1/3, -z+1/3' '-y+2/3, -x+1/3, z+1/3' '-x+y+2/3, y+1/3, z+1/3' 'x+2/3, x-y+1/3, z+1/3' '-x+1/3, -y+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' 'x-y+1/3, x+2/3, -z+2/3' '-y+1/3, -x+2/3, z+2/3' '-x+y+1/3, y+2/3, z+2/3' 'x+1/3, x-y+2/3, z+2/3' _cell_length_a 7.0752(19) _cell_length_b 7.0752(19) _cell_length_c 16.818(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 729.1(3) _cell_formula_units_Z 3 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description rhombohedron _exptl_crystal_colour white _exptl_crystal_density_diffrn 4.146 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 976 _exptl_absorpt_coefficient_mu 26.04 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details 'SADABS (Bruker, 2005)' _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 1846 _diffrn_reflns_av_R_equivalents 0.0278 _diffrn_reflns_av_sigmaI/netI 0.0154 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 3.54 _diffrn_reflns_theta_max 29.99 _reflns_number_total 271 _reflns_number_gt 267 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'ApexII' _computing_cell_refinement 'SAINT (Bruker, 2005)' _computing_data_reduction 'SAINT (Bruker, 2005)' _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^)+(0.0075P)^2^+5.6400P] 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 0.0005(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 271 _refine_ls_number_parameters 35 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0210 _refine_ls_R_factor_gt 0.0205 _refine_ls_wR_factor_ref 0.0437 _refine_ls_wR_factor_gt 0.0436 _refine_ls_goodness_of_fit_ref 1.339 _refine_ls_restrained_S_all 1.339 _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_symetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pb Pb 0.033(4) 0.0000 0.0000 0.022(4) Uani 0.1480(14) 2 d SP . . Ca Ca 0.033(4) 0.0000 0.0000 0.022(4) Uani 0.0187(14) 2 d SP . . Ga Ga 0.5000 0.0000 0.5000 0.0088(3) Uani 0.353(7) 4 d SP . . Al Al 0.5000 0.0000 0.5000 0.0088(3) Uani 0.647(7) 4 d SP . . P P 0.0000 0.0000 0.30898(10) 0.0099(5) Uani 1 6 d S . . O1 O 0.0000 0.0000 0.6014(3) 0.0171(11) Uani 1 6 d S . . O2 O 0.2155(2) -0.2155(2) -0.05658(16) 0.0146(6) Uani 1 2 d S . . O3 O 0.1255(2) -0.1255(2) 0.13598(15) 0.0117(6) Uani 1 2 d S . . H1 H 0.192(6) -0.192(6) 0.114(4) 0.05(2) Uiso 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 Pb 0.025(4) 0.024(11) 0.0164(3) -0.0018(11) -0.0009(6) 0.012(6) Ca 0.025(4) 0.024(11) 0.0164(3) -0.0018(11) -0.0009(6) 0.012(6) Ga 0.0063(4) 0.0060(5) 0.0139(5) 0.0014(3) 0.00070(17) 0.0030(3) Al 0.0063(4) 0.0060(5) 0.0139(5) 0.0014(3) 0.00070(17) 0.0030(3) P 0.0088(6) 0.0088(6) 0.0121(8) 0.000 0.000 0.0044(3) O1 0.0190(16) 0.0190(16) 0.013(2) 0.000 0.000 0.0095(8) O2 0.0142(10) 0.0142(10) 0.0162(13) 0.0000(5) 0.0000(5) 0.0078(11) O3 0.0096(9) 0.0096(9) 0.0169(13) -0.0007(5) 0.0007(5) 0.0055(10) _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 Pb Ca 0.24(2) 21 ? Pb Ca 0.24(2) 20 ? Pb Pb 0.24(2) 20 ? Pb Ca 0.41(4) 2 ? Pb Ca 0.41(4) 3 ? Pb Ca 0.47(5) 19 ? Pb O2 2.62(2) 21 ? Pb O2 2.62(2) . ? Pb O3 2.650(11) . ? Pb O3 2.650(11) 21 ? Pb Ga 3.354(11) 9_554 ? Pb Ga 3.354(11) 14_544 ? Ga O3 1.9138(11) 7 ? Ga O3 1.9138(11) 31_545 ? Ga O3 1.9138(11) 9 ? Ga O3 1.9138(11) 33_545 ? Ga O2 1.946(3) 26 ? Ga O2 1.946(3) 14_545 ? Ga Pb 3.354(11) 26 ? Ga Ca 3.354(11) 26 ? Ga Pb 3.354(11) 14_545 ? Ga Ca 3.354(11) 14_545 ? Ga Pb 3.354(11) 9 ? Ga Ca 3.354(11) 9 ? P O1 1.507(5) 19_556 ? P O2 1.542(3) 8_445 ? P O2 1.542(3) 9 ? P O2 1.542(3) 7_455 ? O1 P 1.507(5) 19_556 ? O2 P 1.542(3) 13_544 ? O2 Al 1.946(3) 9_554 ? O2 Ga 1.946(3) 9_554 ? O2 Pb 2.62(2) 20 ? O2 Ca 2.62(2) 20 ? O2 Ca 2.817(3) 21 ? O2 Ca 2.817(3) 3 ? O2 Ca 3.00(2) 2 ? O2 Ca 3.00(2) 19 ? O3 Al 1.9138(11) 14_544 ? O3 Ga 1.9138(11) 14_544 ? O3 Al 1.9138(11) 13_444 ? O3 Ga 1.9138(11) 13_444 ? O3 Pb 2.650(11) 20 ? O3 Ca 2.650(11) 20 ? O3 Ca 2.766(3) 3 ? O3 Ca 2.766(3) 21 ? O3 Ca 2.878(14) 2 ? O3 Ca 2.878(14) 19 ? O3 H1 0.90(8) . ? 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 Ca Pb Ca 120.000(1) 21 20 ? Ca Pb Pb 120.000(1) 21 20 ? Ca Pb Pb 0(10) 20 20 ? Ca Pb Ca 30.000(1) 21 2 ? Ca Pb Ca 90.0 20 2 ? Pb Pb Ca 90.0 20 2 ? Ca Pb Ca 90.000(13) 21 3 ? Ca Pb Ca 30.000(13) 20 3 ? Pb Pb Ca 30.000(13) 20 3 ? Ca Pb Ca 60.000(13) 2 3 ? Ca Pb Ca 60.0 21 19 ? Ca Pb Ca 60.0 20 19 ? Pb Pb Ca 60.0 20 19 ? Ca Pb Ca 30.0 2 19 ? Ca Pb Ca 30.000(13) 3 19 ? Ca Pb O2 87.4(3) 21 21 ? Ca Pb O2 145.93(17) 20 21 ? Pb Pb O2 145.93(17) 20 21 ? Ca Pb O2 115.2(3) 2 21 ? Ca Pb O2 158.5(2) 3 21 ? Ca Pb O2 141.6(3) 19 21 ? Ca Pb O2 145.93(15) 21 . ? Ca Pb O2 87.4(3) 20 . ? Pb Pb O2 87.4(3) 20 . ? Ca Pb O2 158.5(2) 2 . ? Ca Pb O2 115.2(3) 3 . ? Ca Pb O2 141.6(3) 19 . ? O2 Pb O2 76.9(7) 21 . ? Ca Pb O3 117.27(19) 21 . ? Ca Pb O3 87.4(3) 20 . ? Pb Pb O3 87.4(3) 20 . ? Ca Pb O3 120.2(4) 2 . ? Ca Pb O3 102.3(4) 3 . ? Ca Pb O3 114.4(5) 19 . ? O2 Pb O3 60.6(4) 21 . ? O2 Pb O3 81.0(6) . . ? Ca Pb O3 87.4(3) 21 21 ? Ca Pb O3 117.27(18) 20 21 ? Pb Pb O3 117.27(18) 20 21 ? Ca Pb O3 102.3(4) 2 21 ? Ca Pb O3 120.2(4) 3 21 ? Ca Pb O3 114.4(5) 19 21 ? O2 Pb O3 81.0(6) 21 21 ? O2 Pb O3 60.6(4) . 21 ? O3 Pb O3 131.1(10) . 21 ? Ca Pb Ga 119.49(13) 21 9_554 ? Ca Pb Ga 88.0(2) 20 9_554 ? Pb Pb Ga 88.0(2) 20 9_554 ? Ca Pb Ga 123.2(3) 2 9_554 ? Ca Pb Ga 104.1(3) 3 9_554 ? Ca Pb Ga 117.2(4) 19 9_554 ? O2 Pb Ga 95.7(6) 21 9_554 ? O2 Pb Ga 35.39(14) . 9_554 ? O3 Pb Ga 116.3(7) . 9_554 ? O3 Pb Ga 34.73(14) 21 9_554 ? Ca Pb Ga 88.0(2) 21 14_544 ? Ca Pb Ga 119.49(12) 20 14_544 ? Pb Pb Ga 119.49(12) 20 14_544 ? Ca Pb Ga 104.1(3) 2 14_544 ? Ca Pb Ga 123.2(3) 3 14_544 ? Ca Pb Ga 117.2(4) 19 14_544 ? O2 Pb Ga 35.39(14) 21 14_544 ? O2 Pb Ga 95.7(6) . 14_544 ? O3 Pb Ga 34.73(14) . 14_544 ? O3 Pb Ga 116.3(7) 21 14_544 ? Ga Pb Ga 125.6(8) 9_554 14_544 ? O3 Ga O3 180.0 7 31_545 ? O3 Ga O3 88.24(16) 7 9 ? O3 Ga O3 91.76(16) 31_545 9 ? O3 Ga O3 91.76(16) 7 33_545 ? O3 Ga O3 88.24(16) 31_545 33_545 ? O3 Ga O3 180.00(15) 9 33_545 ? O3 Ga O2 87.02(10) 7 26 ? O3 Ga O2 92.98(10) 31_545 26 ? O3 Ga O2 87.02(9) 9 26 ? O3 Ga O2 92.98(9) 33_545 26 ? O3 Ga O2 92.98(10) 7 14_545 ? O3 Ga O2 87.02(10) 31_545 14_545 ? O3 Ga O2 92.98(9) 9 14_545 ? O3 Ga O2 87.02(9) 33_545 14_545 ? O2 Ga O2 180.000(1) 26 14_545 ? O3 Ga Pb 52.09(8) 7 26 ? O3 Ga Pb 127.91(8) 31_545 26 ? O3 Ga Pb 55.6(4) 9 26 ? O3 Ga Pb 124.4(4) 33_545 26 ? O2 Ga Pb 51.2(3) 26 26 ? O2 Ga Pb 128.8(3) 14_545 26 ? O3 Ga Ca 52.09(8) 7 26 ? O3 Ga Ca 127.91(8) 31_545 26 ? O3 Ga Ca 55.6(4) 9 26 ? O3 Ga Ca 124.4(4) 33_545 26 ? O2 Ga Ca 51.2(3) 26 26 ? O2 Ga Ca 128.8(3) 14_545 26 ? Pb Ga Ca 0.0 26 26 ? O3 Ga Pb 127.91(8) 7 14_545 ? O3 Ga Pb 52.09(8) 31_545 14_545 ? O3 Ga Pb 124.4(4) 9 14_545 ? O3 Ga Pb 55.6(4) 33_545 14_545 ? O2 Ga Pb 128.8(3) 26 14_545 ? O2 Ga Pb 51.2(3) 14_545 14_545 ? Pb Ga Pb 180.000(2) 26 14_545 ? Ca Ga Pb 180.000(2) 26 14_545 ? O3 Ga Ca 127.91(8) 7 14_545 ? O3 Ga Ca 52.09(8) 31_545 14_545 ? O3 Ga Ca 124.4(4) 9 14_545 ? O3 Ga Ca 55.6(4) 33_545 14_545 ? O2 Ga Ca 128.8(3) 26 14_545 ? O2 Ga Ca 51.2(3) 14_545 14_545 ? Pb Ga Ca 180.000(2) 26 14_545 ? Ca Ga Ca 180.000(2) 26 14_545 ? Pb Ga Ca 0.0(8) 14_545 14_545 ? O3 Ga Pb 55.6(4) 7 9 ? O3 Ga Pb 124.4(4) 31_545 9 ? O3 Ga Pb 52.09(8) 9 9 ? O3 Ga Pb 127.91(8) 33_545 9 ? O2 Ga Pb 51.2(3) 26 9 ? O2 Ga Pb 128.8(3) 14_545 9 ? Pb Ga Pb 4.0(4) 26 9 ? Ca Ga Pb 4.0(4) 26 9 ? Pb Ga Pb 176.0(4) 14_545 9 ? Ca Ga Pb 176.0(4) 14_545 9 ? O3 Ga Ca 55.6(4) 7 9 ? O3 Ga Ca 124.4(4) 31_545 9 ? O3 Ga Ca 52.09(8) 9 9 ? O3 Ga Ca 127.91(8) 33_545 9 ? O2 Ga Ca 51.2(3) 26 9 ? O2 Ga Ca 128.8(3) 14_545 9 ? Pb Ga Ca 4.0(4) 26 9 ? Ca Ga Ca 4.0(4) 26 9 ? Pb Ga Ca 176.0(4) 14_545 9 ? Ca Ga Ca 176.0(4) 14_545 9 ? Pb Ga Ca 0.0(8) 9 9 ? O1 P O2 110.57(11) 19_556 8_445 ? O1 P O2 110.57(11) 19_556 9 ? O2 P O2 108.35(12) 8_445 9 ? O1 P O2 110.57(11) 19_556 7_455 ? O2 P O2 108.35(12) 8_445 7_455 ? O2 P O2 108.35(12) 9 7_455 ? P O2 Al 128.48(17) 13_544 9_554 ? P O2 Ga 128.48(17) 13_544 9_554 ? Al O2 Ga 0.0 9_554 9_554 ? P O2 Pb 138.0(2) 13_544 20 ? Al O2 Pb 93.4(2) 9_554 20 ? Ga O2 Pb 93.4(2) 9_554 20 ? P O2 Ca 138.0(2) 13_544 20 ? Al O2 Ca 93.4(2) 9_554 20 ? Ga O2 Ca 93.4(2) 9_554 20 ? Pb O2 Ca 0.0(7) 20 20 ? P O2 Pb 138.0(2) 13_544 . ? Al O2 Pb 93.4(2) 9_554 . ? Ga O2 Pb 93.4(2) 9_554 . ? Pb O2 Pb 5.2(6) 20 . ? Ca O2 Pb 5.2(6) 20 . ? P O2 Ca 139.37(16) 13_544 21 ? Al O2 Ca 91.90(10) 9_554 21 ? Ga O2 Ca 91.90(10) 9_554 21 ? Pb O2 Ca 7.5(8) 20 21 ? Ca O2 Ca 7.5(8) 20 21 ? Pb O2 Ca 2.7(3) . 21 ? P O2 Ca 139.37(16) 13_544 3 ? Al O2 Ca 91.90(10) 9_554 3 ? Ga O2 Ca 91.90(10) 9_554 3 ? Pb O2 Ca 2.7(3) 20 3 ? Ca O2 Ca 2.7(3) 20 3 ? Pb O2 Ca 7.5(8) . 3 ? Ca O2 Ca 9.6(10) 21 3 ? P O2 Ca 140.88(19) 13_544 2 ? Al O2 Ca 90.58(16) 9_554 2 ? Ga O2 Ca 90.58(16) 9_554 2 ? Pb O2 Ca 5.6(6) 20 2 ? Ca O2 Ca 5.6(6) 20 2 ? Pb O2 Ca 2.9(3) . 2 ? Ca O2 Ca 2.9(3) 21 2 ? Ca O2 Ca 7.2(7) 3 2 ? P O2 Ca 140.88(19) 13_544 19 ? Al O2 Ca 90.58(16) 9_554 19 ? Ga O2 Ca 90.58(16) 9_554 19 ? Pb O2 Ca 2.9(3) 20 19 ? Ca O2 Ca 2.9(3) 20 19 ? Pb O2 Ca 5.6(6) . 19 ? Ca O2 Ca 7.2(7) 21 19 ? Ca O2 Ca 2.9(3) 3 19 ? Ca O2 Ca 4.5(4) 2 19 ? Al O3 Ga 0.0 14_544 14_544 ? Al O3 Al 135.11(15) 14_544 13_444 ? Ga O3 Al 135.11(15) 14_544 13_444 ? Al O3 Ga 135.11(15) 14_544 13_444 ? Ga O3 Ga 135.11(15) 14_544 13_444 ? Al O3 Ga 0.0 13_444 13_444 ? Al O3 Pb 97.9(4) 14_544 20 ? Ga O3 Pb 97.9(4) 14_544 20 ? Al O3 Pb 93.18(14) 13_444 20 ? Ga O3 Pb 93.18(14) 13_444 20 ? Al O3 Ca 97.9(4) 14_544 20 ? Ga O3 Ca 97.9(4) 14_544 20 ? Al O3 Ca 93.18(14) 13_444 20 ? Ga O3 Ca 93.18(14) 13_444 20 ? Pb O3 Ca 0.0(10) 20 20 ? Al O3 Pb 93.18(14) 14_544 . ? Ga O3 Pb 93.18(14) 14_544 . ? Al O3 Pb 97.9(4) 13_444 . ? Ga O3 Pb 97.9(4) 13_444 . ? Pb O3 Pb 5.1(6) 20 . ? Ca O3 Pb 5.1(6) 20 . ? Al O3 Ca 98.7(5) 14_544 3 ? Ga O3 Ca 98.7(5) 14_544 3 ? Al O3 Ca 89.6(5) 13_444 3 ? Ga O3 Ca 89.6(5) 13_444 3 ? Pb O3 Ca 4.3(5) 20 3 ? Ca O3 Ca 4.3(5) 20 3 ? Pb O3 Ca 8.3(9) . 3 ? Al O3 Ca 89.6(5) 14_544 21 ? Ga O3 Ca 89.6(5) 14_544 21 ? Al O3 Ca 98.7(5) 13_444 21 ? Ga O3 Ca 98.7(5) 13_444 21 ? Pb O3 Ca 8.3(9) 20 21 ? Ca O3 Ca 8.3(9) 20 21 ? Pb O3 Ca 4.3(5) . 21 ? Ca O3 Ca 9.8(10) 3 21 ? Al O3 Ca 90.7(4) 14_544 2 ? Ga O3 Ca 90.7(4) 14_544 2 ? Al O3 Ca 95.08(12) 13_444 2 ? Ga O3 Ca 95.08(12) 13_444 2 ? Pb O3 Ca 8.6(9) 20 2 ? Ca O3 Ca 8.6(9) 20 2 ? Pb O3 Ca 7.0(7) . 2 ? Ca O3 Ca 8.0(8) 3 2 ? Ca O3 Ca 4.2(4) 21 2 ? Al O3 Ca 95.08(12) 14_544 19 ? Ga O3 Ca 95.08(12) 14_544 19 ? Al O3 Ca 90.7(4) 13_444 19 ? Ga O3 Ca 90.7(4) 13_444 19 ? Pb O3 Ca 7.0(7) 20 19 ? Ca O3 Ca 7.0(7) 20 19 ? Pb O3 Ca 8.6(9) . 19 ? Ca O3 Ca 4.2(4) 3 19 ? Ca O3 Ca 8.0(8) 21 19 ? Ca O3 Ca 4.7(5) 2 19 ? Al O3 H1 110.9(6) 14_544 . ? Ga O3 H1 110.9(6) 14_544 . ? Al O3 H1 110.9(6) 13_444 . ? Ga O3 H1 110.9(6) 13_444 . ? Pb O3 H1 96(4) 20 . ? Ca O3 H1 96(4) 20 . ? Pb O3 H1 96(4) . . ? Ca O3 H1 100(4) 3 . ? Ca O3 H1 100(4) 21 . ? Ca O3 H1 103(4) 2 . ? Ca O3 H1 103(4) 19 . ? _diffrn_measured_fraction_theta_max 0.928 _diffrn_reflns_theta_full 29.99 _diffrn_measured_fraction_theta_full 0.928 _refine_diff_density_max 0.484 _refine_diff_density_min -0.430 _refine_diff_density_rms 0.108