data_serendjg _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al2.50 B0.50 Ca Mg Na0.25 O10 Si2' _chemical_formula_weight 359.17 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' 'B' 'B' 0.0013 0.0007 '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' 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mg' 'Mg' 0.0486 0.0363 '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' 'Na' 'Na' 0.0362 0.0249 '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, -y, -z' _cell_length_a 10.022(7) _cell_length_b 10.406(7) _cell_length_c 8.643(6) _cell_angle_alpha 106.408(5) _cell_angle_beta 95.992(7) _cell_angle_gamma 124.381(8) _cell_volume 672.8(8) _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 3.546 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 711 _exptl_absorpt_coefficient_mu 1.787 _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 0.71070 _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 7738 _diffrn_reflns_av_R_equivalents 0.0097 _diffrn_reflns_av_sigmaI/netI 0.0143 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.27 _diffrn_reflns_theta_max 30.03 _reflns_number_total 3877 _reflns_number_gt 3833 _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^)+(0.0328P)^2^+0.2896P] 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 0.0330(7) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3877 _refine_ls_number_parameters 316 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0211 _refine_ls_R_factor_gt 0.0210 _refine_ls_wR_factor_ref 0.0532 _refine_ls_wR_factor_gt 0.0531 _refine_ls_goodness_of_fit_ref 1.111 _refine_ls_restrained_S_all 1.111 _refine_ls_shift/su_max 0.919 _refine_ls_shift/su_mean 0.011 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 Si1 Si 0.46493(4) 0.23511(4) 0.32968(4) 0.00789(8) Uani 0.3785(8) 1 d P . . B1 B 0.46493(4) 0.23511(4) 0.32968(4) 0.00789(8) Uani 0.62 1 d P . . Si2 Si 0.98328(2) 0.22742(2) 0.34099(2) 0.00748(4) Uani 1 1 d . . . Al3 Al 0.78548(2) 0.34413(2) 0.23250(3) 0.00623(4) Uani 1 1 d . . . Si4 Si 0.26955(8) 0.33018(8) 0.21973(9) 0.00762(16) Uani 0.0241(8) 1 d P . . B4 B 0.26955(8) 0.33018(8) 0.21973(9) 0.00762(16) Uani 0.98 1 d P . . Si5 Si 0.64358(2) 0.94376(2) 0.44299(2) 0.00949(4) Uani 1 1 d . . . Si6 Si 0.35643(2) 0.55472(2) 0.05380(2) 0.00682(4) Uani 1 1 d . . . Al1 Al 0.0000 0.0000 0.5000 0.00617(6) Uani 1 2 d S . . Al2 Al 0.0000 0.5000 0.0000 0.00615(6) Uani 1 2 d S . . AlO3 Al 0.31186(2) 0.85618(2) 0.17249(3) 0.00729(4) Uani 1 1 d . . . Al4 Al 0.77825(2) 0.82278(2) 0.14588(3) 0.00791(4) Uani 1 1 d . . . Mg5 Mg 0.09510(2) 0.94408(2) 0.06183(3) 0.00527(5) Uani 1 1 d . . . Mg6 Mg 0.59376(2) 0.93924(2) 0.05705(3) 0.00585(5) Uani 1 1 d . . . Al7 Al 0.99861(2) 0.74106(2) 0.25869(3) 0.00635(5) Uani 1.0000(9) 1 d . . . Ca8 Ca 0.214781(16) 0.623987(16) 0.397556(18) 0.01022(3) Uani 0.9457(6) 1 d P . . Na8 Na 0.214781(16) 0.623987(16) 0.397556(18) 0.01022(3) Uani 0.05 1 d P . . Ca9 Ca 0.648068(16) 0.602190(17) 0.382911(19) 0.01147(4) Uani 0.9526(6) 1 d P . . Na9 Na 0.648068(16) 0.602190(17) 0.382911(19) 0.01147(4) Uani 0.05 1 d P . . O1 O 0.35267(6) 0.06425(6) 0.17242(7) 0.01087(11) Uani 1 1 d . . . O2 O 0.84330(6) 0.04817(6) 0.16745(6) 0.00956(10) Uani 1 1 d . . . O3 O 0.54009(6) 0.95433(7) 0.28672(7) 0.01509(12) Uani 1 1 d . . . O4 O 0.01507(6) 0.93475(6) 0.27690(6) 0.00837(10) Uani 1 1 d . . . O5 O 0.24008(6) 0.86637(6) 0.38013(7) 0.01014(11) Uani 1 1 d . . . O6 O 0.76330(6) 0.88112(6) 0.38216(7) 0.00950(10) Uani 1 1 d . . . O7 O 0.49056(6) 0.21044(6) 0.49464(7) 0.01310(12) Uani 1 1 d . . . O8 O 0.95735(6) 0.78823(6) 0.48137(6) 0.00892(10) Uani 1 1 d . . . O9 O 0.90003(6) 0.32666(6) 0.38039(7) 0.01100(11) Uani 1 1 d . . . O10 O 0.38423(6) 0.32646(6) 0.34502(7) 0.01076(11) Uani 1 1 d . . . O11 O 0.65067(6) 0.16270(6) 0.04627(7) 0.01065(11) Uani 1 1 d . . . O12 O 0.16086(6) 0.17655(6) 0.06163(7) 0.00929(11) Uani 1 1 d . . . O13 O 0.53770(6) 0.71128(6) 0.04842(7) 0.01185(11) Uani 1 1 d . . . O14 O 0.06852(6) 0.72596(6) 0.06336(6) 0.00850(10) Uani 1 1 d . . . O15 O 0.24043(6) 0.61578(6) 0.11701(6) 0.00915(10) Uani 1 1 d . . . O16 O 0.75362(6) 0.61410(6) 0.13551(7) 0.01046(11) Uani 1 1 d . . . O17 O 0.39002(6) 0.48764(6) 0.19354(6) 0.00924(10) Uani 1 1 d . . . O18 O 0.95140(6) 0.52591(6) 0.21501(6) 0.00994(11) Uani 1 1 d . . . O19 O 0.16629(6) 0.35950(6) 0.31304(7) 0.01154(11) Uani 1 1 d . . . O20 O 0.65566(6) 0.36844(6) 0.33290(7) 0.01360(11) Uani 1 1 d . . . 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 Si1 0.00917(11) 0.00754(10) 0.00727(13) 0.00278(8) 0.00237(9) 0.00554(8) B1 0.00917(11) 0.00754(10) 0.00727(13) 0.00278(8) 0.00237(9) 0.00554(8) Si2 0.00743(5) 0.00740(5) 0.00692(7) 0.00300(5) 0.00187(5) 0.00432(4) Al3 0.00648(6) 0.00599(5) 0.00577(7) 0.00254(5) 0.00151(5) 0.00369(4) Si4 0.0078(2) 0.00703(19) 0.0060(2) 0.00329(17) 0.00208(18) 0.00336(16) B4 0.0078(2) 0.00703(19) 0.0060(2) 0.00329(17) 0.00208(18) 0.00336(16) Si5 0.00842(5) 0.00860(5) 0.00942(7) 0.00189(5) 0.00282(5) 0.00507(4) Si6 0.00695(5) 0.00678(5) 0.00629(6) 0.00226(5) 0.00227(5) 0.00423(4) Al1 0.00644(8) 0.00646(8) 0.00545(10) 0.00224(7) 0.00160(8) 0.00410(6) Al2 0.00621(8) 0.00596(8) 0.00595(10) 0.00226(7) 0.00233(8) 0.00368(6) AlO3 0.00644(6) 0.00921(6) 0.00718(7) 0.00380(5) 0.00278(5) 0.00513(5) Al4 0.00765(6) 0.00875(6) 0.00810(8) 0.00375(5) 0.00306(6) 0.00533(5) Mg5 0.00494(6) 0.00678(6) 0.00627(8) 0.00414(6) 0.00289(6) 0.00400(5) Mg6 0.00438(6) 0.00672(6) 0.00762(9) 0.00423(6) 0.00243(6) 0.00346(5) Al7 0.00683(6) 0.00612(6) 0.00609(8) 0.00234(5) 0.00222(6) 0.00411(5) Ca8 0.01225(5) 0.01154(4) 0.00972(5) 0.00551(4) 0.00485(4) 0.00824(3) Na8 0.01225(5) 0.01154(4) 0.00972(5) 0.00551(4) 0.00485(4) 0.00824(3) Ca9 0.00732(5) 0.01222(5) 0.01256(6) 0.00626(4) 0.00317(4) 0.00444(3) Na9 0.00732(5) 0.01222(5) 0.01256(6) 0.00626(4) 0.00317(4) 0.00444(3) O1 0.01054(15) 0.01158(15) 0.01066(19) 0.00344(13) 0.00269(15) 0.00761(12) O2 0.01074(14) 0.01080(14) 0.00795(18) 0.00361(13) 0.00335(14) 0.00721(11) O3 0.01273(16) 0.01248(17) 0.0148(2) 0.00152(15) 0.00536(16) 0.00683(13) O4 0.00868(14) 0.00785(14) 0.00750(18) 0.00283(12) 0.00348(14) 0.00462(11) O5 0.00966(15) 0.00916(14) 0.00959(19) 0.00327(13) 0.00158(14) 0.00534(12) O6 0.00773(14) 0.00864(14) 0.01104(19) 0.00409(13) 0.00210(14) 0.00471(11) O7 0.01307(16) 0.01161(15) 0.0138(2) 0.00621(14) 0.00795(15) 0.00631(13) O8 0.00851(14) 0.00782(14) 0.01031(19) 0.00407(13) 0.00278(14) 0.00494(11) O9 0.01462(15) 0.01172(14) 0.00888(19) 0.00432(13) 0.00358(15) 0.00938(12) O10 0.00998(15) 0.01105(15) 0.00921(18) 0.00435(13) 0.00135(14) 0.00571(12) O11 0.00910(15) 0.01075(15) 0.01166(19) 0.00410(13) 0.00367(14) 0.00617(12) O12 0.00868(15) 0.00785(14) 0.00819(19) 0.00102(13) 0.00008(14) 0.00493(11) O13 0.01358(16) 0.01137(15) 0.0112(2) 0.00395(14) 0.00484(15) 0.00830(12) O14 0.00947(14) 0.00848(14) 0.00775(18) 0.00350(12) 0.00273(14) 0.00566(11) O15 0.00880(14) 0.01071(14) 0.00827(18) 0.00369(13) 0.00303(14) 0.00634(11) O16 0.00837(15) 0.01000(15) 0.00812(19) 0.00183(14) 0.00257(14) 0.00406(12) O17 0.00988(15) 0.00818(14) 0.00974(18) 0.00479(13) 0.00328(14) 0.00521(11) O18 0.01050(15) 0.01055(14) 0.00895(18) 0.00452(13) 0.00289(14) 0.00650(12) O19 0.01139(15) 0.00984(15) 0.01207(19) 0.00405(14) 0.00689(15) 0.00569(12) O20 0.01788(16) 0.01718(16) 0.0103(2) 0.00479(14) 0.00547(15) 0.01358(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 Si1 O1 1.5266(9) . ? Si1 O7 1.5394(12) . ? Si1 O10 1.5475(11) . ? Si1 O20 1.5973(12) . ? Si1 Si4 2.8365(16) . ? Si1 Ca9 3.014(2) . ? Si1 Na8 3.0270(19) 2_666 ? Si1 Ca8 3.0270(19) 2_666 ? Si1 Mg6 3.125(2) 2_665 ? Si1 Mg5 3.1367(17) 1_545 ? Si1 Na9 3.2705(15) 2_666 ? Si2 O9 1.6468(10) . ? Si2 O2 1.6498(9) . ? Si2 O19 1.6566(10) 1_655 ? Si2 O8 1.6727(12) 2_766 ? Si2 Mg5 3.203(2) 2_665 ? Si2 Na8 3.234(2) 1_655 ? Si2 Ca8 3.234(2) 1_655 ? Si2 Ca9 3.295(2) 2_766 ? Si2 Na9 3.295(2) 2_766 ? Al3 O11 1.7114(10) . ? Al3 O20 1.7301(11) . ? Al3 O18 1.7400(10) . ? Al3 O9 1.7451(10) . ? Al3 Na8 3.120(2) 2_666 ? Al3 Ca8 3.120(2) 2_666 ? Al3 Mg6 3.222(2) 1_545 ? Al3 Mg6 3.2544(18) 2_665 ? Al3 Na8 3.354(2) 1_655 ? Al3 Ca8 3.354(2) 1_655 ? Al3 Ca9 3.6573(18) . ? Si4 O12 1.4484(10) . ? Si4 O19 1.4854(12) . ? Si4 O17 1.4920(11) . ? Si4 O10 1.5195(12) . ? Si4 Ca9 2.982(2) . ? Si4 Mg5 3.088(2) 1_545 ? Si4 Mg5 3.1404(18) 2_565 ? Si4 Na9 3.218(2) 2_666 ? Si4 Ca9 3.218(2) 2_666 ? Si5 O3 1.6830(11) . ? Si5 O7 1.6959(10) 2_666 ? Si5 O5 1.7088(10) 2_676 ? Si5 O6 1.7212(11) . ? Si5 Ca9 3.471(2) . ? Si5 Ca8 3.529(2) . ? Si5 Ca8 3.609(3) 2_676 ? Si6 O13 1.6354(10) . ? Si6 O17 1.6480(10) . ? Si6 O16 1.6706(10) 2_665 ? Si6 O15 1.6805(10) . ? Si6 Ca8 3.4912(19) . ? Si6 Ca9 3.5662(19) . ? Al1 O4 1.9076(13) 1_545 ? Al1 O4 1.9076(13) 2_566 ? Al1 O6 1.9142(15) 2_666 ? Al1 O6 1.9142(15) 1_445 ? Al1 O8 1.9458(16) 2_666 ? Al1 O8 1.9458(16) 1_445 ? Al1 Al7 2.8960(15) 2_666 ? Al1 Al7 2.8960(15) 1_445 ? Al1 Al4 2.9103(18) 2_666 ? Al1 Al4 2.9103(18) 1_445 ? Al1 Ca9 3.3164(18) 1_445 ? Al1 Na9 3.3164(18) 1_445 ? Al2 O14 1.9160(16) 2_565 ? Al2 O14 1.9160(16) . ? Al2 O15 1.9505(15) . ? Al2 O15 1.9505(15) 2_565 ? Al2 O18 1.9539(13) 2_665 ? Al2 O18 1.9539(13) 1_455 ? Al2 Al7 2.8582(14) 1_455 ? Al2 Al7 2.8582(14) 2_665 ? Al2 AlO3 2.9242(16) . ? Al2 AlO3 2.9242(16) 2_565 ? Al2 Ca8 3.304(2) . ? AlO3 O3 1.8894(15) . ? AlO3 O14 1.9336(15) . ? AlO3 O11 1.9432(14) 2_665 ? AlO3 O1 1.9637(16) 1_565 ? AlO3 O5 1.9994(13) . ? AlO3 O15 2.0564(17) . ? AlO3 Mg6 2.8358(18) . ? AlO3 Al7 2.9310(19) 1_455 ? AlO3 Mg5 2.9623(15) . ? AlO3 Mg6 3.1410(16) 2_675 ? Al4 O13 1.9320(16) . ? Al4 O12 1.9545(13) 2_665 ? Al4 O4 1.9603(15) 1_655 ? Al4 O2 1.9904(16) 1_565 ? Al4 O6 2.0069(15) . ? Al4 O16 2.0160(16) . ? Al4 Mg6 2.8700(14) . ? Al4 Al1 2.9103(18) 1_665 ? Al4 Mg5 2.946(2) 1_655 ? Al4 Al7 2.9478(15) . ? Al4 Mg5 3.1904(16) 2_675 ? Mg5 O1 2.0748(17) 1_565 ? Mg5 O12 2.0807(16) 2_565 ? Mg5 O4 2.1055(14) . ? Mg5 O12 2.1186(17) 1_565 ? Mg5 O14 2.1348(16) . ? Mg5 O2 2.1458(15) 2_665 ? Mg5 Al7 2.8913(15) 1_455 ? Mg5 Al4 2.946(2) 1_455 ? Mg5 Mg5 2.9855(14) 2_575 ? Mg5 Mg6 3.0579(19) 2_675 ? Mg5 Si4 3.088(2) 1_565 ? Mg6 O11 1.9991(16) 2_665 ? Mg6 O2 2.0344(16) 1_565 ? Mg6 O13 2.0819(17) . ? Mg6 O11 2.0920(16) 1_565 ? Mg6 O3 2.0968(15) . ? Mg6 O1 2.1039(15) 2_665 ? Mg6 Mg6 3.0173(14) 2_675 ? Mg6 Mg5 3.0579(19) 2_675 ? Mg6 Si1 3.125(2) 2_665 ? Mg6 AlO3 3.1410(16) 2_675 ? Al7 O4 1.8852(15) 1_655 ? Al7 O14 1.8939(12) 1_655 ? Al7 O18 1.9152(16) . ? Al7 O5 1.9471(15) 1_655 ? Al7 O16 1.9756(15) . ? Al7 O8 1.9944(14) . ? Al7 Al2 2.8582(14) 1_655 ? Al7 Mg5 2.8913(15) 1_655 ? Al7 Al1 2.8960(15) 1_665 ? Al7 AlO3 2.931(2) 1_655 ? Al7 Ca8 3.2989(15) 1_655 ? Ca8 O7 2.3085(18) 2_666 ? Ca8 O19 2.3716(19) . ? Ca8 O18 2.3825(17) 1_455 ? Ca8 O9 2.4171(13) 2_666 ? Ca8 O5 2.4390(18) . ? Ca8 O15 2.4476(18) . ? Ca8 O20 2.5037(16) 2_666 ? Ca8 O9 2.8575(16) 1_455 ? Ca8 B1 3.0270(19) 2_666 ? Ca8 Si1 3.0270(19) 2_666 ? Ca8 Al3 3.120(2) 2_666 ? Ca8 Si2 3.234(2) 1_455 ? Ca9 O17 2.3066(16) . ? Ca9 O10 2.3727(16) 2_666 ? Ca9 O20 2.3940(17) . ? Ca9 O8 2.4127(18) . ? Ca9 O6 2.4464(19) . ? Ca9 O10 2.4599(14) . ? Ca9 O16 2.4861(15) . ? Ca9 O19 2.8418(17) 2_666 ? Ca9 O7 3.0088(15) 2_666 ? O1 AlO3 1.9637(16) 1_545 ? O1 Mg5 2.0748(17) 1_545 ? O1 Mg6 2.1039(15) 2_665 ? O2 Al4 1.9904(17) 1_545 ? O2 Mg6 2.0344(16) 1_545 ? O2 Mg5 2.1458(15) 2_665 ? O4 Al7 1.8852(15) 1_455 ? O4 Al1 1.9076(13) 1_565 ? O4 Al4 1.9603(15) 1_455 ? O5 Si5 1.7088(10) 2_676 ? O5 Al7 1.9471(15) 1_455 ? O6 Al1 1.9142(15) 1_665 ? O7 Si5 1.6959(10) 2_666 ? O7 Na8 2.3085(18) 2_666 ? O7 Ca8 2.3085(18) 2_666 ? O7 Na9 3.0088(15) 2_666 ? O7 Ca9 3.0088(15) 2_666 ? O8 Si2 1.6727(11) 2_766 ? O8 Al1 1.9458(16) 1_665 ? O9 Na8 2.4171(13) 2_666 ? O9 Ca8 2.4171(13) 2_666 ? O9 Ca8 2.8575(15) 1_655 ? O9 Na8 2.8575(15) 1_655 ? O10 Na9 2.3727(16) 2_666 ? O10 Ca9 2.3727(16) 2_666 ? O11 AlO3 1.9432(14) 2_665 ? O11 Mg6 1.9991(16) 2_665 ? O11 Mg6 2.0920(17) 1_545 ? O12 Al4 1.9545(13) 2_665 ? O12 Mg5 2.0807(16) 2_565 ? O12 Mg5 2.1186(17) 1_545 ? O14 Al7 1.8939(12) 1_455 ? O16 Si6 1.6706(10) 2_665 ? O18 Al2 1.9539(13) 1_655 ? O18 Na8 2.3826(17) 1_655 ? O18 Ca8 2.3826(17) 1_655 ? O19 Si2 1.6566(10) 1_455 ? O19 Na9 2.8418(17) 2_666 ? O19 Ca9 2.8418(17) 2_666 ? O20 Na8 2.5037(16) 2_666 ? O20 Ca8 2.5037(16) 2_666 ? 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 Si1 O7 111.31(6) . . ? O1 Si1 O10 110.73(6) . . ? O7 Si1 O10 108.97(4) . . ? O1 Si1 O20 115.07(5) . . ? O7 Si1 O20 103.92(4) . . ? O10 Si1 O20 106.44(7) . . ? O1 Si1 Si4 91.18(6) . . ? O7 Si1 Si4 128.03(4) . . ? O10 Si1 Si4 22.14(3) . . ? O20 Si1 Si4 107.61(7) . . ? O1 Si1 Ca9 134.07(5) . . ? O7 Si1 Ca9 114.61(3) . . ? O10 Si1 Ca9 54.42(5) . . ? O20 Si1 Ca9 52.18(3) . . ? Si4 Si1 Ca9 61.20(5) . . ? O1 Si1 Na8 127.12(4) . 2_666 ? O7 Si1 Na8 48.27(3) . 2_666 ? O10 Si1 Na8 121.91(4) . 2_666 ? O20 Si1 Na8 55.72(5) . 2_666 ? Si4 Si1 Na8 141.41(4) . 2_666 ? Ca9 Si1 Na8 85.013(19) . 2_666 ? O1 Si1 Ca8 127.12(4) . 2_666 ? O7 Si1 Ca8 48.27(3) . 2_666 ? O10 Si1 Ca8 121.91(4) . 2_666 ? O20 Si1 Ca8 55.72(5) . 2_666 ? Si4 Si1 Ca8 141.41(4) . 2_666 ? Ca9 Si1 Ca8 85.013(19) . 2_666 ? Na8 Si1 Ca8 0.000(8) 2_666 2_666 ? O1 Si1 Mg6 36.49(3) . 2_665 ? O7 Si1 Mg6 138.57(5) . 2_665 ? O10 Si1 Mg6 108.24(3) . 2_665 ? O20 Si1 Mg6 82.20(3) . 2_665 ? Si4 Si1 Mg6 86.37(4) . 2_665 ? Ca9 Si1 Mg6 101.56(3) . 2_665 ? Na8 Si1 Mg6 120.45(4) 2_666 2_665 ? Ca8 Si1 Mg6 120.45(4) 2_666 2_665 ? O1 Si1 Mg5 34.79(3) . 1_545 ? O7 Si1 Mg5 113.27(4) . 1_545 ? O10 Si1 Mg5 78.00(6) . 1_545 ? O20 Si1 Mg5 138.88(5) . 1_545 ? Si4 Si1 Mg5 62.01(6) . 1_545 ? Ca9 Si1 Mg5 120.44(3) . 1_545 ? Na8 Si1 Mg5 154.55(3) 2_666 1_545 ? Ca8 Si1 Mg5 154.55(3) 2_666 1_545 ? Mg6 Si1 Mg5 58.46(3) 2_665 1_545 ? O1 Si1 Na9 129.05(5) . 2_666 ? O7 Si1 Na9 66.51(5) . 2_666 ? O10 Si1 Na9 42.51(3) . 2_666 ? O20 Si1 Na9 114.50(5) . 2_666 ? Si4 Si1 Na9 63.14(5) . 2_666 ? Ca9 Si1 Na9 72.90(4) . 2_666 ? Na8 Si1 Na9 90.79(6) 2_666 2_666 ? Ca8 Si1 Na9 90.79(6) 2_666 2_666 ? Mg6 Si1 Na9 148.10(3) 2_665 2_666 ? Mg5 Si1 Na9 96.46(6) 1_545 2_666 ? O9 Si2 O2 106.93(6) . . ? O9 Si2 O19 106.25(7) . 1_655 ? O2 Si2 O19 112.52(5) . 1_655 ? O9 Si2 O8 108.74(4) . 2_766 ? O2 Si2 O8 117.59(6) . 2_766 ? O19 Si2 O8 104.26(5) 1_655 2_766 ? O9 Si2 Mg5 110.46(3) . 2_665 ? O2 Si2 Mg5 37.57(3) . 2_665 ? O19 Si2 Mg5 76.02(3) 1_655 2_665 ? O8 Si2 Mg5 138.92(4) 2_766 2_665 ? O9 Si2 Na8 61.96(6) . 1_655 ? O2 Si2 Na8 131.44(4) . 1_655 ? O19 Si2 Na8 44.97(2) 1_655 1_655 ? O8 Si2 Na8 110.38(3) 2_766 1_655 ? Mg5 Si2 Na8 98.51(2) 2_665 1_655 ? O9 Si2 Ca8 61.96(6) . 1_655 ? O2 Si2 Ca8 131.44(4) . 1_655 ? O19 Si2 Ca8 44.97(2) 1_655 1_655 ? O8 Si2 Ca8 110.38(3) 2_766 1_655 ? Mg5 Si2 Ca8 98.51(2) 2_665 1_655 ? Na8 Si2 Ca8 0.000(6) 1_655 1_655 ? O9 Si2 Ca9 118.00(5) . 2_766 ? O2 Si2 Ca9 134.89(3) . 2_766 ? O19 Si2 Ca9 59.58(5) 1_655 2_766 ? O8 Si2 Ca9 44.70(2) 2_766 2_766 ? Mg5 Si2 Ca9 120.64(3) 2_665 2_766 ? Na8 Si2 Ca9 77.37(2) 1_655 2_766 ? Ca8 Si2 Ca9 77.37(2) 1_655 2_766 ? O9 Si2 Na9 118.00(5) . 2_766 ? O2 Si2 Na9 134.89(3) . 2_766 ? O19 Si2 Na9 59.58(5) 1_655 2_766 ? O8 Si2 Na9 44.70(2) 2_766 2_766 ? Mg5 Si2 Na9 120.64(3) 2_665 2_766 ? Na8 Si2 Na9 77.37(2) 1_655 2_766 ? Ca8 Si2 Na9 77.37(2) 1_655 2_766 ? Ca9 Si2 Na9 0.000(7) 2_766 2_766 ? O11 Al3 O20 106.26(6) . . ? O11 Al3 O18 116.33(5) . . ? O20 Al3 O18 115.33(6) . . ? O11 Al3 O9 113.86(6) . . ? O20 Al3 O9 103.50(6) . . ? O18 Al3 O9 100.98(6) . . ? O11 Al3 Na8 126.98(4) . 2_666 ? O20 Al3 Na8 53.24(3) . 2_666 ? O18 Al3 Na8 116.45(2) . 2_666 ? O9 Al3 Na8 50.42(4) . 2_666 ? O11 Al3 Ca8 126.98(4) . 2_666 ? O20 Al3 Ca8 53.24(3) . 2_666 ? O18 Al3 Ca8 116.45(2) . 2_666 ? O9 Al3 Ca8 50.42(4) . 2_666 ? Na8 Al3 Ca8 0.000(10) 2_666 2_666 ? O11 Al3 Mg6 35.89(3) . 1_545 ? O20 Al3 Mg6 106.61(3) . 1_545 ? O18 Al3 Mg6 136.45(4) . 1_545 ? O9 Al3 Mg6 79.37(4) . 1_545 ? Na8 Al3 Mg6 97.43(2) 2_666 1_545 ? Ca8 Al3 Mg6 97.43(2) 2_666 1_545 ? O11 Al3 Mg6 31.25(2) . 2_665 ? O20 Al3 Mg6 76.55(6) . 2_665 ? O18 Al3 Mg6 123.25(4) . 2_665 ? O9 Al3 Mg6 131.47(5) . 2_665 ? Na8 Al3 Mg6 113.79(4) 2_666 2_665 ? Ca8 Al3 Mg6 113.79(4) 2_666 2_665 ? Mg6 Al3 Mg6 55.533(18) 1_545 2_665 ? O11 Al3 Na8 131.32(2) . 1_655 ? O20 Al3 Na8 122.41(5) . 1_655 ? O18 Al3 Na8 42.55(3) . 1_655 ? O9 Al3 Na8 58.44(4) . 1_655 ? Na8 Al3 Na8 87.18(2) 2_666 1_655 ? Ca8 Al3 Na8 87.18(2) 2_666 1_655 ? Mg6 Al3 Na8 119.930(19) 1_545 1_655 ? Mg6 Al3 Na8 158.548(18) 2_665 1_655 ? O11 Al3 Ca8 131.32(2) . 1_655 ? O20 Al3 Ca8 122.41(5) . 1_655 ? O18 Al3 Ca8 42.55(3) . 1_655 ? O9 Al3 Ca8 58.44(4) . 1_655 ? Na8 Al3 Ca8 87.18(2) 2_666 1_655 ? Ca8 Al3 Ca8 87.18(2) 2_666 1_655 ? Mg6 Al3 Ca8 119.930(19) 1_545 1_655 ? Mg6 Al3 Ca8 158.548(18) 2_665 1_655 ? Na8 Al3 Ca8 0.000(7) 1_655 1_655 ? O11 Al3 Ca9 117.14(5) . . ? O20 Al3 Ca9 32.79(3) . . ? O18 Al3 Ca9 83.54(7) . . ? O9 Al3 Ca9 119.72(4) . . ? Na8 Al3 Ca9 73.580(15) 2_666 . ? Ca8 Al3 Ca9 73.580(15) 2_666 . ? Mg6 Al3 Ca9 134.52(4) 1_545 . ? Mg6 Al3 Ca9 86.77(6) 2_665 . ? Na8 Al3 Ca9 104.35(6) 1_655 . ? Ca8 Al3 Ca9 104.35(6) 1_655 . ? O12 Si4 O19 111.34(7) . . ? O12 Si4 O17 113.19(7) . . ? O19 Si4 O17 107.39(7) . . ? O12 Si4 O10 113.99(8) . . ? O19 Si4 O10 105.75(8) . . ? O17 Si4 O10 104.59(6) . . ? O12 Si4 Si1 93.57(7) . . ? O19 Si4 Si1 124.65(6) . . ? O17 Si4 Si1 106.27(7) . . ? O10 Si4 Si1 22.57(3) . . ? O12 Si4 Ca9 133.77(5) . . ? O19 Si4 Ca9 114.79(6) . . ? O17 Si4 Ca9 49.34(4) . . ? O10 Si4 Ca9 55.37(5) . . ? Si1 Si4 Ca9 62.34(6) . . ? O12 Si4 Mg5 37.01(4) . 1_545 ? O19 Si4 Mg5 109.50(4) . 1_545 ? O17 Si4 Mg5 139.89(6) . 1_545 ? O10 Si4 Mg5 80.02(5) . 1_545 ? Si1 Si4 Mg5 63.78(5) . 1_545 ? Ca9 Si4 Mg5 123.18(4) . 1_545 ? O12 Si4 Mg5 32.99(3) . 2_565 ? O19 Si4 Mg5 79.94(7) . 2_565 ? O17 Si4 Mg5 115.89(5) . 2_565 ? O10 Si4 Mg5 135.45(6) . 2_565 ? Si1 Si4 Mg5 120.97(6) . 2_565 ? Ca9 Si4 Mg5 160.62(3) . 2_565 ? Mg5 Si4 Mg5 57.28(2) 1_545 2_565 ? O12 Si4 Na9 133.49(6) . 2_666 ? O19 Si4 Na9 62.00(5) . 2_666 ? O17 Si4 Na9 112.39(4) . 2_666 ? O10 Si4 Na9 43.98(4) . 2_666 ? Si1 Si4 Na9 65.03(2) . 2_666 ? Ca9 Si4 Na9 74.08(2) . 2_666 ? Mg5 Si4 Na9 98.54(3) 1_545 2_666 ? Mg5 Si4 Na9 125.21(3) 2_565 2_666 ? O12 Si4 Ca9 133.49(6) . 2_666 ? O19 Si4 Ca9 62.00(5) . 2_666 ? O17 Si4 Ca9 112.39(4) . 2_666 ? O10 Si4 Ca9 43.98(4) . 2_666 ? Si1 Si4 Ca9 65.03(2) . 2_666 ? Ca9 Si4 Ca9 74.08(2) . 2_666 ? Mg5 Si4 Ca9 98.54(3) 1_545 2_666 ? Mg5 Si4 Ca9 125.21(3) 2_565 2_666 ? Na9 Si4 Ca9 0.000(6) 2_666 2_666 ? O3 Si5 O7 113.25(5) . 2_666 ? O3 Si5 O5 108.99(6) . 2_676 ? O7 Si5 O5 106.36(6) 2_666 2_676 ? O3 Si5 O6 114.09(5) . . ? O7 Si5 O6 100.63(6) 2_666 . ? O5 Si5 O6 113.12(5) 2_676 . ? O3 Si5 Ca9 123.34(3) . . ? O7 Si5 Ca9 60.08(5) 2_666 . ? O5 Si5 Ca9 127.29(5) 2_676 . ? O6 Si5 Ca9 40.94(2) . . ? O3 Si5 Ca8 79.98(5) . . ? O7 Si5 Ca8 33.33(2) 2_666 . ? O5 Si5 Ca8 117.78(3) 2_676 . ? O6 Si5 Ca8 118.10(6) . . ? Ca9 Si5 Ca8 79.73(5) . . ? O3 Si5 Ca8 73.45(4) . 2_676 ? O7 Si5 Ca8 126.36(4) 2_666 2_676 ? O5 Si5 Ca8 35.86(3) 2_676 2_676 ? O6 Si5 Ca8 126.00(3) . 2_676 ? Ca9 Si5 Ca8 160.26(2) . 2_676 ? Ca8 Si5 Ca8 115.86(3) . 2_676 ? O13 Si6 O17 111.04(5) . . ? O13 Si6 O16 110.08(5) . 2_665 ? O17 Si6 O16 105.78(7) . 2_665 ? O13 Si6 O15 112.16(7) . . ? O17 Si6 O15 105.40(5) . . ? O16 Si6 O15 112.10(5) 2_665 . ? O13 Si6 Ca8 120.58(4) . . ? O17 Si6 Ca8 66.16(5) . . ? O16 Si6 Ca8 128.29(4) 2_665 . ? O15 Si6 Ca8 39.75(2) . . ? O13 Si6 Ca9 80.54(5) . . ? O17 Si6 Ca9 30.64(2) . . ? O16 Si6 Ca9 121.04(5) 2_665 . ? O15 Si6 Ca9 116.38(5) . . ? Ca8 Si6 Ca9 78.95(6) . . ? O4 Al1 O4 180.000(13) 1_545 2_566 ? O4 Al1 O6 94.89(4) 1_545 2_666 ? O4 Al1 O6 85.11(4) 2_566 2_666 ? O4 Al1 O6 85.11(4) 1_545 1_445 ? O4 Al1 O6 94.89(4) 2_566 1_445 ? O6 Al1 O6 180.0 2_666 1_445 ? O4 Al1 O8 96.99(3) 1_545 2_666 ? O4 Al1 O8 83.01(3) 2_566 2_666 ? O6 Al1 O8 91.88(3) 2_666 2_666 ? O6 Al1 O8 88.12(3) 1_445 2_666 ? O4 Al1 O8 83.01(3) 1_545 1_445 ? O4 Al1 O8 96.99(3) 2_566 1_445 ? O6 Al1 O8 88.12(3) 2_666 1_445 ? O6 Al1 O8 91.88(3) 1_445 1_445 ? O8 Al1 O8 180.0 2_666 1_445 ? O4 Al1 Al7 140.06(2) 1_545 2_666 ? O4 Al1 Al7 39.94(2) 2_566 2_666 ? O6 Al1 Al7 91.55(4) 2_666 2_666 ? O6 Al1 Al7 88.45(4) 1_445 2_666 ? O8 Al1 Al7 43.35(4) 2_666 2_666 ? O8 Al1 Al7 136.65(4) 1_445 2_666 ? O4 Al1 Al7 39.94(2) 1_545 1_445 ? O4 Al1 Al7 140.06(2) 2_566 1_445 ? O6 Al1 Al7 88.45(4) 2_666 1_445 ? O6 Al1 Al7 91.55(4) 1_445 1_445 ? O8 Al1 Al7 136.65(4) 2_666 1_445 ? O8 Al1 Al7 43.35(4) 1_445 1_445 ? Al7 Al1 Al7 180.0 2_666 1_445 ? O4 Al1 Al4 138.11(4) 1_545 2_666 ? O4 Al1 Al4 41.89(4) 2_566 2_666 ? O6 Al1 Al4 43.32(2) 2_666 2_666 ? O6 Al1 Al4 136.68(2) 1_445 2_666 ? O8 Al1 Al4 88.65(3) 2_666 2_666 ? O8 Al1 Al4 91.35(3) 1_445 2_666 ? Al7 Al1 Al4 61.02(4) 2_666 2_666 ? Al7 Al1 Al4 118.98(4) 1_445 2_666 ? O4 Al1 Al4 41.89(4) 1_545 1_445 ? O4 Al1 Al4 138.11(4) 2_566 1_445 ? O6 Al1 Al4 136.68(2) 2_666 1_445 ? O6 Al1 Al4 43.32(2) 1_445 1_445 ? O8 Al1 Al4 91.35(3) 2_666 1_445 ? O8 Al1 Al4 88.65(3) 1_445 1_445 ? Al7 Al1 Al4 118.98(4) 2_666 1_445 ? Al7 Al1 Al4 61.02(4) 1_445 1_445 ? Al4 Al1 Al4 180.0 2_666 1_445 ? O4 Al1 Ca9 89.21(3) 1_545 1_445 ? O4 Al1 Ca9 90.79(3) 2_566 1_445 ? O6 Al1 Ca9 133.12(3) 2_666 1_445 ? O6 Al1 Ca9 46.88(3) 1_445 1_445 ? O8 Al1 Ca9 133.99(5) 2_666 1_445 ? O8 Al1 Ca9 46.01(5) 1_445 1_445 ? Al7 Al1 Ca9 114.20(5) 2_666 1_445 ? Al7 Al1 Ca9 65.80(5) 1_445 1_445 ? Al4 Al1 Ca9 116.02(2) 2_666 1_445 ? Al4 Al1 Ca9 63.98(2) 1_445 1_445 ? O4 Al1 Na9 89.21(3) 1_545 1_445 ? O4 Al1 Na9 90.79(3) 2_566 1_445 ? O6 Al1 Na9 133.12(3) 2_666 1_445 ? O6 Al1 Na9 46.88(3) 1_445 1_445 ? O8 Al1 Na9 133.99(5) 2_666 1_445 ? O8 Al1 Na9 46.01(5) 1_445 1_445 ? Al7 Al1 Na9 114.20(5) 2_666 1_445 ? Al7 Al1 Na9 65.80(5) 1_445 1_445 ? Al4 Al1 Na9 116.02(2) 2_666 1_445 ? Al4 Al1 Na9 63.98(2) 1_445 1_445 ? Ca9 Al1 Na9 0.000(5) 1_445 1_445 ? O14 Al2 O14 180.00(3) 2_565 . ? O14 Al2 O15 94.70(3) 2_565 . ? O14 Al2 O15 85.30(3) . . ? O14 Al2 O15 85.30(3) 2_565 2_565 ? O14 Al2 O15 94.70(3) . 2_565 ? O15 Al2 O15 180.000(19) . 2_565 ? O14 Al2 O18 82.66(2) 2_565 2_665 ? O14 Al2 O18 97.34(2) . 2_665 ? O15 Al2 O18 88.04(5) . 2_665 ? O15 Al2 O18 91.96(5) 2_565 2_665 ? O14 Al2 O18 97.34(2) 2_565 1_455 ? O14 Al2 O18 82.66(2) . 1_455 ? O15 Al2 O18 91.96(5) . 1_455 ? O15 Al2 O18 88.04(5) 2_565 1_455 ? O18 Al2 O18 180.00(4) 2_665 1_455 ? O14 Al2 Al7 138.90(3) 2_565 1_455 ? O14 Al2 Al7 41.10(3) . 1_455 ? O15 Al2 Al7 91.98(4) . 1_455 ? O15 Al2 Al7 88.02(4) 2_565 1_455 ? O18 Al2 Al7 138.14(3) 2_665 1_455 ? O18 Al2 Al7 41.86(3) 1_455 1_455 ? O14 Al2 Al7 41.10(3) 2_565 2_665 ? O14 Al2 Al7 138.90(3) . 2_665 ? O15 Al2 Al7 88.02(4) . 2_665 ? O15 Al2 Al7 91.98(4) 2_565 2_665 ? O18 Al2 Al7 41.86(3) 2_665 2_665 ? O18 Al2 Al7 138.14(3) 1_455 2_665 ? Al7 Al2 Al7 180.0 1_455 2_665 ? O14 Al2 AlO3 139.20(4) 2_565 . ? O14 Al2 AlO3 40.80(4) . . ? O15 Al2 AlO3 44.57(3) . . ? O15 Al2 AlO3 135.43(3) 2_565 . ? O18 Al2 AlO3 92.02(3) 2_665 . ? O18 Al2 AlO3 87.98(3) 1_455 . ? Al7 Al2 AlO3 60.90(5) 1_455 . ? Al7 Al2 AlO3 119.10(5) 2_665 . ? O14 Al2 AlO3 40.80(4) 2_565 2_565 ? O14 Al2 AlO3 139.20(4) . 2_565 ? O15 Al2 AlO3 135.43(3) . 2_565 ? O15 Al2 AlO3 44.57(3) 2_565 2_565 ? O18 Al2 AlO3 87.98(3) 2_665 2_565 ? O18 Al2 AlO3 92.02(3) 1_455 2_565 ? Al7 Al2 AlO3 119.10(5) 1_455 2_565 ? Al7 Al2 AlO3 60.90(5) 2_665 2_565 ? AlO3 Al2 AlO3 180.0 . 2_565 ? O14 Al2 Ca8 91.66(2) 2_565 . ? O14 Al2 Ca8 88.336(19) . . ? O15 Al2 Ca8 47.35(2) . . ? O15 Al2 Ca8 132.645(19) 2_565 . ? O18 Al2 Ca8 134.56(5) 2_665 . ? O18 Al2 Ca8 45.44(5) 1_455 . ? Al7 Al2 Ca8 64.25(4) 1_455 . ? Al7 Al2 Ca8 115.75(4) 2_665 . ? AlO3 Al2 Ca8 63.89(2) . . ? AlO3 Al2 Ca8 116.11(2) 2_565 . ? O3 AlO3 O14 171.16(3) . . ? O3 AlO3 O11 92.47(5) . 2_665 ? O14 AlO3 O11 91.07(4) . 2_665 ? O3 AlO3 O1 98.24(3) . 1_565 ? O14 AlO3 O1 90.29(4) . 1_565 ? O11 AlO3 O1 81.67(3) 2_665 1_565 ? O3 AlO3 O5 95.91(5) . . ? O14 AlO3 O5 80.85(5) . . ? O11 AlO3 O5 171.49(3) 2_665 . ? O1 AlO3 O5 95.63(3) 1_565 . ? O3 AlO3 O15 89.97(3) . . ? O14 AlO3 O15 82.01(3) . . ? O11 AlO3 O15 88.64(3) 2_665 . ? O1 AlO3 O15 167.53(3) 1_565 . ? O5 AlO3 O15 92.84(2) . . ? O3 AlO3 Mg6 47.68(5) . . ? O14 AlO3 Mg6 135.27(5) . . ? O11 AlO3 Mg6 44.79(2) 2_665 . ? O1 AlO3 Mg6 89.72(2) 1_565 . ? O5 AlO3 Mg6 143.567(19) . . ? O15 AlO3 Mg6 88.89(2) . . ? O3 AlO3 Al2 131.69(4) . . ? O14 AlO3 Al2 40.35(3) . . ? O11 AlO3 Al2 88.07(3) 2_665 . ? O1 AlO3 Al2 129.47(5) 1_565 . ? O5 AlO3 Al2 87.47(4) . . ? O15 AlO3 Al2 41.73(4) . . ? Mg6 AlO3 Al2 116.30(4) . . ? O3 AlO3 Al7 136.93(5) . 1_455 ? O14 AlO3 Al7 39.53(4) . 1_455 ? O11 AlO3 Al7 130.43(2) 2_665 1_455 ? O1 AlO3 Al7 92.50(3) 1_565 1_455 ? O5 AlO3 Al7 41.358(17) . 1_455 ? O15 AlO3 Al7 87.81(2) . 1_455 ? Mg6 AlO3 Al7 174.299(10) . 1_455 ? Al2 AlO3 Al7 58.44(4) . 1_455 ? O3 AlO3 Mg5 142.39(4) . . ? O14 AlO3 Mg5 46.01(5) . . ? O11 AlO3 Mg5 85.79(4) 2_665 . ? O1 AlO3 Mg5 44.30(3) 1_565 . ? O5 AlO3 Mg5 86.66(4) . . ? O15 AlO3 Mg5 127.47(3) . . ? Mg6 AlO3 Mg5 120.35(4) . . ? Al2 AlO3 Mg5 85.85(7) . . ? Al7 AlO3 Mg5 58.76(4) 1_455 . ? O3 AlO3 Mg6 95.43(4) . 2_675 ? O14 AlO3 Mg6 92.54(3) . 2_675 ? O11 AlO3 Mg6 40.62(3) 2_665 2_675 ? O1 AlO3 Mg6 41.10(3) 1_565 2_675 ? O5 AlO3 Mg6 136.47(4) . 2_675 ? O15 AlO3 Mg6 129.05(4) . 2_675 ? Mg6 AlO3 Mg6 60.385(19) . 2_675 ? Al2 AlO3 Mg6 114.66(5) . 2_675 ? Al7 AlO3 Mg6 118.739(17) 1_455 2_675 ? Mg5 AlO3 Mg6 60.05(3) . 2_675 ? O13 Al4 O12 98.26(4) . 2_665 ? O13 Al4 O4 171.34(3) . 1_655 ? O12 Al4 O4 90.38(5) 2_665 1_655 ? O13 Al4 O2 91.58(3) . 1_565 ? O12 Al4 O2 81.62(3) 2_665 1_565 ? O4 Al4 O2 90.23(3) 1_655 1_565 ? O13 Al4 O6 90.31(4) . . ? O12 Al4 O6 166.44(2) 2_665 . ? O4 Al4 O6 81.31(4) 1_655 . ? O2 Al4 O6 87.69(3) 1_565 . ? O13 Al4 O16 97.65(4) . . ? O12 Al4 O16 95.77(3) 2_665 . ? O4 Al4 O16 80.82(3) 1_655 . ? O2 Al4 O16 170.69(3) 1_565 . ? O6 Al4 O16 93.46(3) . . ? O13 Al4 Mg6 46.49(5) . . ? O12 Al4 Mg6 88.31(4) 2_665 . ? O4 Al4 Mg6 135.01(5) 1_655 . ? O2 Al4 Mg6 45.13(3) 1_565 . ? O6 Al4 Mg6 90.04(3) . . ? O16 Al4 Mg6 144.02(2) . . ? O13 Al4 Al1 131.17(2) . 1_665 ? O12 Al4 Al1 129.46(5) 2_665 1_665 ? O4 Al4 Al1 40.523(18) 1_655 1_665 ? O2 Al4 Al1 86.57(3) 1_565 1_665 ? O6 Al4 Al1 40.87(4) . 1_665 ? O16 Al4 Al1 88.26(3) . 1_665 ? Mg6 Al4 Al1 116.28(4) . 1_665 ? O13 Al4 Mg5 143.09(4) . 1_655 ? O12 Al4 Mg5 44.821(17) 2_665 1_655 ? O4 Al4 Mg5 45.56(5) 1_655 1_655 ? O2 Al4 Mg5 83.86(2) 1_565 1_655 ? O6 Al4 Mg5 125.903(19) . 1_655 ? O16 Al4 Mg5 88.00(3) . 1_655 ? Mg6 Al4 Mg5 118.25(4) . 1_655 ? Al1 Al4 Mg5 85.24(5) 1_665 1_655 ? O13 Al4 Al7 139.22(4) . . ? O12 Al4 Al7 92.03(4) 2_665 . ? O4 Al4 Al7 39.03(4) 1_655 . ? O2 Al4 Al7 129.04(3) 1_565 . ? O6 Al4 Al7 88.23(4) . . ? O16 Al4 Al7 41.87(2) . . ? Mg6 Al4 Al7 174.018(8) . . ? Al1 Al4 Al7 59.25(3) 1_665 . ? Mg5 Al4 Al7 58.76(4) 1_655 . ? O13 Al4 Mg5 95.39(3) . 2_675 ? O12 Al4 Mg5 40.31(3) 2_665 2_675 ? O4 Al4 Mg5 91.56(4) 1_655 2_675 ? O2 Al4 Mg5 41.34(3) 1_565 2_675 ? O6 Al4 Mg5 128.70(4) . 2_675 ? O16 Al4 Mg5 135.66(3) . 2_675 ? Mg6 Al4 Mg5 60.33(4) . 2_675 ? Al1 Al4 Mg5 113.60(4) 1_665 2_675 ? Mg5 Al4 Mg5 58.063(15) 1_655 2_675 ? Al7 Al4 Mg5 116.80(4) . 2_675 ? O1 Mg5 O12 176.88(3) 1_565 2_565 ? O1 Mg5 O4 100.00(5) 1_565 . ? O12 Mg5 O4 83.12(5) 2_565 . ? O1 Mg5 O12 89.80(3) 1_565 1_565 ? O12 Mg5 O12 89.38(3) 2_565 1_565 ? O4 Mg5 O12 103.39(3) . 1_565 ? O1 Mg5 O14 82.03(3) 1_565 . ? O12 Mg5 O14 98.59(3) 2_565 . ? O4 Mg5 O14 81.54(3) . . ? O12 Mg5 O14 171.13(2) 1_565 . ? O1 Mg5 O2 84.88(4) 1_565 2_665 ? O12 Mg5 O2 92.00(5) 2_565 2_665 ? O4 Mg5 O2 174.71(3) . 2_665 ? O12 Mg5 O2 74.40(2) 1_565 2_665 ? O14 Mg5 O2 101.29(3) . 2_665 ? O1 Mg5 Al7 91.36(3) 1_565 1_455 ? O12 Mg5 Al7 91.09(3) 2_565 1_455 ? O4 Mg5 Al7 40.64(3) . 1_455 ? O12 Mg5 Al7 143.51(3) 1_565 1_455 ? O14 Mg5 Al7 40.91(3) . 1_455 ? O2 Mg5 Al7 142.01(3) 2_665 1_455 ? O1 Mg5 Al4 141.66(4) 1_565 1_455 ? O12 Mg5 Al4 41.46(4) 2_565 1_455 ? O4 Mg5 Al4 41.661(16) . 1_455 ? O12 Mg5 Al4 98.18(2) 1_565 1_455 ? O14 Mg5 Al4 90.40(3) . 1_455 ? O2 Mg5 Al4 133.415(19) 2_665 1_455 ? Al7 Mg5 Al4 60.658(16) 1_455 1_455 ? O1 Mg5 AlO3 41.38(4) 1_565 . ? O12 Mg5 AlO3 139.23(4) 2_565 . ? O4 Mg5 AlO3 90.05(4) . . ? O12 Mg5 AlO3 131.14(3) 1_565 . ? O14 Mg5 AlO3 40.67(2) . . ? O2 Mg5 AlO3 95.00(4) 2_665 . ? Al7 Mg5 AlO3 60.08(4) 1_455 . ? Al4 Mg5 AlO3 120.73(5) 1_455 . ? O1 Mg5 Mg5 133.90(4) 1_565 2_575 ? O12 Mg5 Mg5 45.20(4) 2_565 2_575 ? O4 Mg5 Mg5 94.64(4) . 2_575 ? O12 Mg5 Mg5 44.18(3) 1_565 2_575 ? O14 Mg5 Mg5 143.64(2) . 2_575 ? O2 Mg5 Mg5 80.42(4) 2_665 2_575 ? Al7 Mg5 Mg5 125.71(4) 1_455 2_575 ? Al4 Mg5 Mg5 65.08(5) 1_455 2_575 ? AlO3 Mg5 Mg5 174.146(13) . 2_575 ? O1 Mg5 Mg6 43.34(5) 1_565 2_675 ? O12 Mg5 Mg6 133.54(5) 2_565 2_675 ? O4 Mg5 Mg6 143.334(18) . 2_675 ? O12 Mg5 Mg6 80.61(2) 1_565 2_675 ? O14 Mg5 Mg6 91.03(3) . 2_675 ? O2 Mg5 Mg6 41.580(17) 2_665 2_675 ? Al7 Mg5 Mg6 122.880(19) 1_455 2_675 ? Al4 Mg5 Mg6 174.995(11) 1_455 2_675 ? AlO3 Mg5 Mg6 62.88(5) . 2_675 ? Mg5 Mg5 Mg6 111.37(5) 2_575 2_675 ? O1 Mg5 Si4 75.15(2) 1_565 1_565 ? O12 Mg5 Si4 105.07(3) 2_565 1_565 ? O4 Mg5 Si4 86.80(3) . 1_565 ? O12 Mg5 Si4 24.30(3) 1_565 1_565 ? O14 Mg5 Si4 152.12(4) . 1_565 ? O2 Mg5 Si4 92.51(3) 2_665 1_565 ? Al7 Mg5 Si4 123.03(5) 1_455 1_565 ? Al4 Mg5 Si4 97.58(2) 1_455 1_565 ? AlO3 Mg5 Si4 114.65(4) . 1_565 ? Mg5 Mg5 Si4 62.25(5) 2_575 1_565 ? Mg6 Mg5 Si4 83.34(2) 2_675 1_565 ? O11 Mg6 O2 178.43(3) 2_665 1_565 ? O11 Mg6 O13 94.84(3) 2_665 . ? O2 Mg6 O13 86.17(3) 1_565 . ? O11 Mg6 O11 84.99(3) 2_665 1_565 ? O2 Mg6 O11 94.11(3) 1_565 1_565 ? O13 Mg6 O11 175.52(3) . 1_565 ? O11 Mg6 O3 85.00(4) 2_665 . ? O2 Mg6 O3 93.94(4) 1_565 . ? O13 Mg6 O3 82.68(3) . . ? O11 Mg6 O3 101.76(3) 1_565 . ? O11 Mg6 O1 94.02(4) 2_665 2_665 ? O2 Mg6 O1 86.98(4) 1_565 2_665 ? O13 Mg6 O1 100.55(3) . 2_665 ? O11 Mg6 O1 75.01(3) 1_565 2_665 ? O3 Mg6 O1 176.71(3) . 2_665 ? O11 Mg6 AlO3 43.22(5) 2_665 . ? O2 Mg6 AlO3 135.71(5) 1_565 . ? O13 Mg6 AlO3 88.14(2) . . ? O11 Mg6 AlO3 94.75(2) 1_565 . ? O3 Mg6 AlO3 41.777(19) . . ? O1 Mg6 AlO3 137.16(2) 2_665 . ? O11 Mg6 Al4 137.13(4) 2_665 . ? O2 Mg6 Al4 43.90(4) 1_565 . ? O13 Mg6 Al4 42.30(3) . . ? O11 Mg6 Al4 137.64(3) 1_565 . ? O3 Mg6 Al4 88.93(4) . . ? O1 Mg6 Al4 93.91(3) 2_665 . ? AlO3 Mg6 Al4 118.46(4) . . ? O11 Mg6 Mg6 43.68(4) 2_665 2_675 ? O2 Mg6 Mg6 135.40(4) 1_565 2_675 ? O13 Mg6 Mg6 138.34(3) . 2_675 ? O11 Mg6 Mg6 41.30(3) 1_565 2_675 ? O3 Mg6 Mg6 94.79(4) . 2_675 ? O1 Mg6 Mg6 82.36(4) 2_665 2_675 ? AlO3 Mg6 Mg6 64.82(4) . 2_675 ? Al4 Mg6 Mg6 176.277(15) . 2_675 ? O11 Mg6 Mg5 136.51(5) 2_665 2_675 ? O2 Mg6 Mg5 44.43(5) 1_565 2_675 ? O13 Mg6 Mg5 96.24(2) . 2_675 ? O11 Mg6 Mg5 80.91(2) 1_565 2_675 ? O3 Mg6 Mg5 138.11(2) . 2_675 ? O1 Mg6 Mg5 42.592(18) 2_665 2_675 ? AlO3 Mg6 Mg5 175.574(12) . 2_675 ? Al4 Mg6 Mg5 65.03(4) . 2_675 ? Mg6 Mg6 Mg5 111.79(5) 2_675 2_675 ? O11 Mg6 Si1 79.68(3) 2_665 2_665 ? O2 Mg6 Si1 101.68(3) 1_565 2_665 ? O13 Mg6 Si1 80.79(3) . 2_665 ? O11 Mg6 Si1 94.78(4) 1_565 2_665 ? O3 Mg6 Si1 156.34(3) . 2_665 ? O1 Mg6 Si1 25.56(3) 2_665 2_665 ? AlO3 Mg6 Si1 120.63(2) . 2_665 ? Al4 Mg6 Si1 90.14(3) . 2_665 ? Mg6 Mg6 Si1 86.51(4) 2_675 2_665 ? Mg5 Mg6 Si1 60.95(2) 2_675 2_665 ? O11 Mg6 AlO3 87.89(3) 2_665 2_675 ? O2 Mg6 AlO3 92.16(3) 1_565 2_675 ? O13 Mg6 AlO3 138.32(3) . 2_675 ? O11 Mg6 AlO3 37.21(2) 1_565 2_675 ? O3 Mg6 AlO3 138.90(4) . 2_675 ? O1 Mg6 AlO3 37.85(3) 2_665 2_675 ? AlO3 Mg6 AlO3 119.62(2) . 2_675 ? Al4 Mg6 AlO3 121.90(3) . 2_675 ? Mg6 Mg6 AlO3 54.79(3) 2_675 2_675 ? Mg5 Mg6 AlO3 57.073(18) 2_675 2_675 ? Si1 Mg6 AlO3 58.77(5) 2_665 2_675 ? O4 Al7 O14 94.24(3) 1_655 1_655 ? O4 Al7 O18 171.86(2) 1_655 . ? O14 Al7 O18 84.28(3) 1_655 . ? O4 Al7 O5 96.20(4) 1_655 1_655 ? O14 Al7 O5 83.22(5) 1_655 1_655 ? O18 Al7 O5 91.57(3) . 1_655 ? O4 Al7 O16 83.75(4) 1_655 . ? O14 Al7 O16 96.79(5) 1_655 . ? O18 Al7 O16 88.47(3) . . ? O5 Al7 O16 179.96(3) 1_655 . ? O4 Al7 O8 82.28(3) 1_655 . ? O14 Al7 O8 172.05(2) 1_655 . ? O18 Al7 O8 100.15(3) . . ? O5 Al7 O8 90.03(5) 1_655 . ? O16 Al7 O8 89.96(5) . . ? O4 Al7 Al2 134.32(4) 1_655 1_655 ? O14 Al7 Al2 41.69(3) 1_655 1_655 ? O18 Al7 Al2 42.90(3) . 1_655 ? O5 Al7 Al2 90.37(4) 1_655 1_655 ? O16 Al7 Al2 89.67(4) . 1_655 ? O8 Al7 Al2 143.04(3) . 1_655 ? O4 Al7 Mg5 46.67(3) 1_655 1_655 ? O14 Al7 Mg5 47.57(4) 1_655 1_655 ? O18 Al7 Mg5 131.30(4) . 1_655 ? O5 Al7 Mg5 89.65(4) 1_655 1_655 ? O16 Al7 Mg5 90.32(4) . 1_655 ? O8 Al7 Mg5 128.54(4) . 1_655 ? Al2 Al7 Mg5 88.42(6) 1_655 1_655 ? O4 Al7 Al1 40.51(4) 1_655 1_665 ? O14 Al7 Al1 133.45(3) 1_655 1_665 ? O18 Al7 Al1 142.14(3) . 1_665 ? O5 Al7 Al1 90.52(4) 1_655 1_665 ? O16 Al7 Al1 89.44(4) . 1_665 ? O8 Al7 Al1 42.05(3) . 1_665 ? Al2 Al7 Al1 174.834(9) 1_655 1_665 ? Mg5 Al7 Al1 86.50(6) 1_655 1_665 ? O4 Al7 AlO3 95.58(3) 1_655 1_655 ? O14 Al7 AlO3 40.525(17) 1_655 1_655 ? O18 Al7 AlO3 88.50(3) . 1_655 ? O5 Al7 AlO3 42.73(5) 1_655 1_655 ? O16 Al7 AlO3 137.28(5) . 1_655 ? O8 Al7 AlO3 132.445(17) . 1_655 ? Al2 Al7 AlO3 60.66(3) 1_655 1_655 ? Mg5 Al7 AlO3 61.160(16) 1_655 1_655 ? Al1 Al7 AlO3 117.27(3) 1_665 1_655 ? O4 Al7 Al4 40.90(2) 1_655 . ? O14 Al7 Al4 95.37(4) 1_655 . ? O18 Al7 Al4 131.17(3) . . ? O5 Al7 Al4 137.03(5) 1_655 . ? O16 Al7 Al4 42.93(5) . . ? O8 Al7 Al4 86.70(4) . . ? Al2 Al7 Al4 116.71(4) 1_655 . ? Mg5 Al7 Al4 60.58(4) 1_655 . ? Al1 Al7 Al4 59.73(4) 1_665 . ? AlO3 Al7 Al4 121.74(4) 1_655 . ? O4 Al7 Ca8 142.69(2) 1_655 1_655 ? O14 Al7 Ca8 88.87(4) 1_655 1_655 ? O18 Al7 Ca8 45.39(3) . 1_655 ? O5 Al7 Ca8 47.22(5) 1_655 1_655 ? O16 Al7 Ca8 132.82(5) . 1_655 ? O8 Al7 Ca8 89.62(4) . 1_655 ? Al2 Al7 Ca8 64.45(4) 1_655 1_655 ? Mg5 Al7 Ca8 125.05(4) 1_655 1_655 ? Al1 Al7 Ca8 119.50(4) 1_665 1_655 ? AlO3 Al7 Ca8 63.89(4) 1_655 1_655 ? Al4 Al7 Ca8 174.301(9) . 1_655 ? O7 Ca8 O19 94.64(4) 2_666 . ? O7 Ca8 O18 154.72(3) 2_666 1_455 ? O19 Ca8 O18 98.72(3) . 1_455 ? O7 Ca8 O9 111.12(5) 2_666 2_666 ? O19 Ca8 O9 113.61(2) . 2_666 ? O18 Ca8 O9 82.93(6) 1_455 2_666 ? O7 Ca8 O5 90.68(4) 2_666 . ? O19 Ca8 O5 160.54(3) . . ? O18 Ca8 O5 70.07(3) 1_455 . ? O9 Ca8 O5 81.56(3) 2_666 . ? O7 Ca8 O15 88.28(3) 2_666 . ? O19 Ca8 O15 87.52(2) . . ? O18 Ca8 O15 71.06(4) 1_455 . ? O9 Ca8 O15 148.94(3) 2_666 . ? O5 Ca8 O15 73.92(2) . . ? O7 Ca8 O20 61.62(3) 2_666 2_666 ? O19 Ca8 O20 75.02(3) . 2_666 ? O18 Ca8 O20 142.86(2) 1_455 2_666 ? O9 Ca8 O20 67.34(5) 2_666 2_666 ? O5 Ca8 O20 123.62(2) . 2_666 ? O15 Ca8 O20 143.00(4) . 2_666 ? O7 Ca8 O9 143.70(3) 2_666 1_455 ? O19 Ca8 O9 59.85(5) . 1_455 ? O18 Ca8 O9 60.95(4) 1_455 1_455 ? O9 Ca8 O9 64.50(4) 2_666 1_455 ? O5 Ca8 O9 122.23(5) . 1_455 ? O15 Ca8 O9 113.662(18) . 1_455 ? O20 Ca8 O9 85.59(4) 2_666 1_455 ? O7 Ca8 B1 29.84(3) 2_666 2_666 ? O19 Ca8 B1 85.42(2) . 2_666 ? O18 Ca8 B1 172.001(17) 1_455 2_666 ? O9 Ca8 B1 89.15(6) 2_666 2_666 ? O5 Ca8 B1 107.78(3) . 2_666 ? O15 Ca8 B1 116.14(4) . 2_666 ? O20 Ca8 B1 31.82(2) 2_666 2_666 ? O9 Ca8 B1 116.38(4) 1_455 2_666 ? O7 Ca8 Si1 29.84(3) 2_666 2_666 ? O19 Ca8 Si1 85.42(2) . 2_666 ? O18 Ca8 Si1 172.001(17) 1_455 2_666 ? O9 Ca8 Si1 89.15(6) 2_666 2_666 ? O5 Ca8 Si1 107.78(3) . 2_666 ? O15 Ca8 Si1 116.14(4) . 2_666 ? O20 Ca8 Si1 31.82(2) 2_666 2_666 ? O9 Ca8 Si1 116.38(4) 1_455 2_666 ? B1 Ca8 Si1 0.000(17) 2_666 2_666 ? O7 Ca8 Al3 87.11(3) 2_666 2_666 ? O19 Ca8 Al3 93.44(2) . 2_666 ? O18 Ca8 Al3 113.24(4) 1_455 2_666 ? O9 Ca8 Al3 33.81(3) 2_666 2_666 ? O5 Ca8 Al3 105.530(19) . 2_666 ? O15 Ca8 Al3 175.346(13) . 2_666 ? O20 Ca8 Al3 33.61(3) 2_666 2_666 ? O9 Ca8 Al3 70.646(15) 1_455 2_666 ? B1 Ca8 Al3 59.45(4) 2_666 2_666 ? Si1 Ca8 Al3 59.45(4) 2_666 2_666 ? O7 Ca8 Si2 118.63(2) 2_666 1_455 ? O19 Ca8 Si2 29.58(3) . 1_455 ? O18 Ca8 Si2 81.63(3) 1_455 1_455 ? O9 Ca8 Si2 87.67(3) 2_666 1_455 ? O5 Ca8 Si2 150.68(4) . 1_455 ? O15 Ca8 Si2 104.511(17) . 1_455 ? O20 Ca8 Si2 75.63(3) 2_666 1_455 ? O9 Ca8 Si2 30.57(2) 1_455 1_455 ? B1 Ca8 Si2 99.19(2) 2_666 1_455 ? Si1 Ca8 Si2 99.19(2) 2_666 1_455 ? Al3 Ca8 Si2 78.284(12) 2_666 1_455 ? O17 Ca9 O10 103.91(5) . 2_666 ? O17 Ca9 O20 105.38(3) . . ? O10 Ca9 O20 106.89(2) 2_666 . ? O17 Ca9 O8 150.88(3) . . ? O10 Ca9 O8 97.09(3) 2_666 . ? O20 Ca9 O8 87.15(5) . . ? O17 Ca9 O6 88.82(3) . . ? O10 Ca9 O6 93.93(3) 2_666 . ? O20 Ca9 O6 150.67(4) . . ? O8 Ca9 O6 69.62(3) . . ? O17 Ca9 O10 59.88(4) . . ? O10 Ca9 O10 78.61(3) 2_666 . ? O20 Ca9 O10 62.50(6) . . ? O8 Ca9 O10 145.77(3) . . ? O6 Ca9 O10 144.08(4) . . ? O17 Ca9 O16 85.50(6) . . ? O10 Ca9 O16 163.83(2) 2_666 . ? O20 Ca9 O16 82.65(3) . . ? O8 Ca9 O16 69.88(4) . . ? O6 Ca9 O16 72.86(2) . . ? O10 Ca9 O16 117.55(3) . . ? O17 Ca9 O19 149.66(2) . 2_666 ? O10 Ca9 O19 53.80(5) 2_666 2_666 ? O20 Ca9 O19 68.52(3) . 2_666 ? O8 Ca9 O19 59.36(3) . 2_666 ? O6 Ca9 O19 110.99(2) . 2_666 ? O10 Ca9 O19 92.94(4) . 2_666 ? O16 Ca9 O19 121.55(5) . 2_666 ? O17 Ca9 Si4 29.39(3) . . ? O10 Ca9 Si4 90.47(4) 2_666 . ? O20 Ca9 Si4 84.84(6) . . ? O8 Ca9 Si4 170.30(2) . . ? O6 Ca9 Si4 116.06(3) . . ? O10 Ca9 Si4 30.55(3) . . ? O16 Ca9 Si4 103.60(4) . . ? O19 Ca9 Si4 122.00(4) 2_666 . ? O17 Ca9 O7 66.61(5) . 2_666 ? O10 Ca9 O7 54.12(2) 2_666 2_666 ? O20 Ca9 O7 152.76(2) . 2_666 ? O8 Ca9 O7 112.61(6) . 2_666 ? O6 Ca9 O7 56.51(4) . 2_666 ? O10 Ca9 O7 92.51(7) . 2_666 ? O16 Ca9 O7 120.93(3) . 2_666 ? O19 Ca9 O7 104.58(4) 2_666 2_666 ? Si4 Ca9 O7 76.78(6) . 2_666 ? Si1 O1 AlO3 123.03(6) . 1_545 ? Si1 O1 Mg5 120.38(4) . 1_545 ? AlO3 O1 Mg5 94.32(3) 1_545 1_545 ? Si1 O1 Mg6 117.95(5) . 2_665 ? AlO3 O1 Mg6 101.05(3) 1_545 2_665 ? Mg5 O1 Mg6 94.07(4) 1_545 2_665 ? Si2 O2 Al4 123.31(5) . 1_545 ? Si2 O2 Mg6 126.73(4) . 1_545 ? Al4 O2 Mg6 90.97(2) 1_545 1_545 ? Si2 O2 Mg5 114.47(5) . 2_665 ? Al4 O2 Mg5 100.88(3) 1_545 2_665 ? Mg6 O2 Mg5 93.99(4) 1_545 2_665 ? Si5 O3 AlO3 137.62(4) . . ? Si5 O3 Mg6 121.49(6) . . ? AlO3 O3 Mg6 90.54(5) . . ? Al7 O4 Al1 99.55(3) 1_455 1_565 ? Al7 O4 Al4 100.07(3) 1_455 1_455 ? Al1 O4 Al4 97.59(5) 1_565 1_455 ? Al7 O4 Mg5 92.69(3) 1_455 . ? Al1 O4 Mg5 162.28(3) 1_565 . ? Al4 O4 Mg5 92.78(5) 1_455 . ? Si5 O5 Al7 122.37(4) 2_676 1_455 ? Si5 O5 AlO3 119.76(5) 2_676 . ? Al7 O5 AlO3 95.91(5) 1_455 . ? Si5 O5 Ca8 119.91(6) 2_676 . ? Al7 O5 Ca8 96.91(4) 1_455 . ? AlO3 O5 Ca8 95.99(3) . . ? Si5 O6 Al1 125.50(5) . 1_665 ? Si5 O6 Al4 123.64(3) . . ? Al1 O6 Al4 95.81(4) 1_665 . ? Si5 O6 Ca9 111.61(4) . . ? Al1 O6 Ca9 98.28(3) 1_665 . ? Al4 O6 Ca9 95.77(3) . . ? Si1 O7 Si5 131.91(4) . 2_666 ? Si1 O7 Na8 101.89(4) . 2_666 ? Si5 O7 Na8 122.86(4) 2_666 2_666 ? Si1 O7 Ca8 101.89(4) . 2_666 ? Si5 O7 Ca8 122.86(4) 2_666 2_666 ? Na8 O7 Ca8 0.000(8) 2_666 2_666 ? Si1 O7 Na9 85.50(4) . 2_666 ? Si5 O7 Na9 90.67(6) 2_666 2_666 ? Na8 O7 Na9 114.46(5) 2_666 2_666 ? Ca8 O7 Na9 114.46(5) 2_666 2_666 ? Si1 O7 Ca9 85.50(4) . 2_666 ? Si5 O7 Ca9 90.67(6) 2_666 2_666 ? Na8 O7 Ca9 114.46(5) 2_666 2_666 ? Ca8 O7 Ca9 114.46(5) 2_666 2_666 ? Na9 O7 Ca9 0.000(7) 2_666 2_666 ? Si2 O8 Al1 119.15(3) 2_766 1_665 ? Si2 O8 Al7 132.38(5) 2_766 . ? Al1 O8 Al7 94.60(3) 1_665 . ? Si2 O8 Ca9 106.11(4) 2_766 . ? Al1 O8 Ca9 98.52(4) 1_665 . ? Al7 O8 Ca9 100.26(4) . . ? Si2 O9 Al3 127.51(5) . . ? Si2 O9 Na8 131.85(4) . 2_666 ? Al3 O9 Na8 95.78(6) . 2_666 ? Si2 O9 Ca8 131.85(4) . 2_666 ? Al3 O9 Ca8 95.78(6) . 2_666 ? Na8 O9 Ca8 0.000(6) 2_666 2_666 ? Si2 O9 Ca8 87.47(7) . 1_655 ? Al3 O9 Ca8 90.21(6) . 1_655 ? Na8 O9 Ca8 115.50(4) 2_666 1_655 ? Ca8 O9 Ca8 115.50(4) 2_666 1_655 ? Si2 O9 Na8 87.47(7) . 1_655 ? Al3 O9 Na8 90.21(6) . 1_655 ? Na8 O9 Na8 115.50(4) 2_666 1_655 ? Ca8 O9 Na8 115.50(4) 2_666 1_655 ? Ca8 O9 Na8 0.000(8) 1_655 1_655 ? Si4 O10 Si1 135.29(5) . . ? Si4 O10 Na9 109.61(6) . 2_666 ? Si1 O10 Na9 111.34(4) . 2_666 ? Si4 O10 Ca9 109.61(6) . 2_666 ? Si1 O10 Ca9 111.34(4) . 2_666 ? Na9 O10 Ca9 0.000(8) 2_666 2_666 ? Si4 O10 Ca9 94.08(6) . . ? Si1 O10 Ca9 94.81(7) . . ? Na9 O10 Ca9 101.38(3) 2_666 . ? Ca9 O10 Ca9 101.38(3) 2_666 . ? Al3 O11 AlO3 123.93(5) . 2_665 ? Al3 O11 Mg6 122.39(4) . 2_665 ? AlO3 O11 Mg6 91.98(4) 2_665 2_665 ? Al3 O11 Mg6 115.44(6) . 1_545 ? AlO3 O11 Mg6 102.17(3) 2_665 1_545 ? Mg6 O11 Mg6 95.01(3) 2_665 1_545 ? Si4 O12 Al4 119.78(6) . 2_665 ? Si4 O12 Mg5 124.74(5) . 2_565 ? Al4 O12 Mg5 93.72(5) 2_665 2_565 ? Si4 O12 Mg5 118.69(6) . 1_545 ? Al4 O12 Mg5 103.05(3) 2_665 1_545 ? Mg5 O12 Mg5 90.62(3) 2_565 1_545 ? Si6 O13 Al4 136.77(5) . . ? Si6 O13 Mg6 124.26(5) . . ? Al4 O13 Mg6 91.21(3) . . ? Al7 O14 Al2 97.21(3) 1_455 . ? Al7 O14 AlO3 99.95(5) 1_455 . ? Al2 O14 AlO3 98.86(3) . . ? Al7 O14 Mg5 91.53(3) 1_455 . ? Al2 O14 Mg5 163.52(3) . . ? AlO3 O14 Mg5 93.32(4) . . ? Si6 O15 Al2 126.26(5) . . ? Si6 O15 AlO3 124.35(4) . . ? Al2 O15 AlO3 93.70(3) . . ? Si6 O15 Ca8 114.21(3) . . ? Al2 O15 Ca8 96.76(4) . . ? AlO3 O15 Ca8 94.24(2) . . ? Si6 O16 Al7 123.70(4) 2_665 . ? Si6 O16 Al4 117.13(6) 2_665 . ? Al7 O16 Al4 95.20(4) . . ? Si6 O16 Ca9 121.52(5) 2_665 . ? Al7 O16 Ca9 98.37(5) . . ? Al4 O16 Ca9 94.32(3) . . ? Si4 O17 Si6 130.42(5) . . ? Si4 O17 Ca9 101.27(5) . . ? Si6 O17 Ca9 128.01(4) . . ? Al3 O18 Al7 131.15(5) . . ? Al3 O18 Al2 118.56(3) . 1_655 ? Al7 O18 Al2 95.24(3) . 1_655 ? Al3 O18 Na8 107.86(5) . 1_655 ? Al7 O18 Na8 99.70(2) . 1_655 ? Al2 O18 Na8 98.81(5) 1_655 1_655 ? Al3 O18 Ca8 107.86(5) . 1_655 ? Al7 O18 Ca8 99.70(2) . 1_655 ? Al2 O18 Ca8 98.81(5) 1_655 1_655 ? Na8 O18 Ca8 0.000(9) 1_655 1_655 ? Si4 O19 Si2 132.40(6) . 1_455 ? Si4 O19 Ca8 120.70(4) . . ? Si2 O19 Ca8 105.45(5) 1_455 . ? Si4 O19 Na9 90.52(7) . 2_666 ? Si2 O19 Na9 90.24(5) 1_455 2_666 ? Ca8 O19 Na9 102.69(3) . 2_666 ? Si4 O19 Ca9 90.52(7) . 2_666 ? Si2 O19 Ca9 90.24(5) 1_455 2_666 ? Ca8 O19 Ca9 102.69(3) . 2_666 ? Na9 O19 Ca9 0.000(7) 2_666 2_666 ? Si1 O20 Al3 132.78(6) . . ? Si1 O20 Ca9 96.02(6) . . ? Al3 O20 Ca9 124.16(3) . . ? Si1 O20 Na8 92.46(5) . 2_666 ? Al3 O20 Na8 93.15(5) . 2_666 ? Ca9 O20 Na8 112.88(3) . 2_666 ? Si1 O20 Ca8 92.46(5) . 2_666 ? Al3 O20 Ca8 93.15(5) . 2_666 ? Ca9 O20 Ca8 112.88(3) . 2_666 ? Na8 O20 Ca8 0.000(7) 2_666 2_666 ? _diffrn_measured_fraction_theta_max 0.982 _diffrn_reflns_theta_full 30.03 _diffrn_measured_fraction_theta_full 0.982 _refine_diff_density_max 0.584 _refine_diff_density_min -0.578 _refine_diff_density_rms 0.148