data_carbobystrite _publ_requested_journal Can.Mineral. _publ_contact_author_name 'Alexander P. Khomyakov' _publ_contact_author_address ;Institute of Mineralogy, Geochemistry and Crystal Chemistry of Rare Elements, Veresaev Street 15, Moscow 121357, Russia ; _publ_contact_author_email camara@crystal.unipv.it _publ_contact_author_phone +390382955867 _publ_contact_author_fax ; +390382985887 ; loop_ _publ_author_name _publ_author_address 'Khomyakov, Alexander P.' ;Institute of Mineralogy, Geochemistry and Crystal Chemistry of Rare Elements, Veresaev Street 15, Moscow 121357, Russia ; "C\'amara, Fernando" ;CNR - Istituto di Geoscienze e Georisorse, unit\`a di Pavia Via Ferrata 1, I-27100 Pavia, Italy ; 'Sokolova, Elena' ;Dept. of Geological Sciences University of Manitoba Winnipeg, Manitoba R3T 2N2 Canada ; _journal_name_full ; Canadian Mineralogist ; _publ_section_title ; Carbobystrite Na8(Al6Si6O24)(CO3)?3.5H2O, a new feldspatoid from Khibina massif: description and crystal structure ; _audit_creation_method 'manually entered' _chemical_name_systematic Carbonate-bystrite _chemical_name_common Carbonate-bystrite _chemical_formula_moiety ? _chemical_formula_sum 'C Al6 K0.37 Na7.56 O30.51 Si6' _chemical_compound_source 'from Mount Koashva, Khibina alkaline massif, Kola Peninsula, Russia' _chemical_melting_point ? _exptl_crystal_description prismatic _exptl_crystal_colour white _diffrn_ambient_temperature 298(2) _chemical_formula_weight 1018.68 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' Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' C C 0.0033 0.0016 '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' _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M 'P 31 c' _symmetry_int_tables_number 159 _chemical_absolute_configuration ? _symmetry_space_group_name_Hall 'P 3 -2c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, z+1/2' '-x, -x+y, z+1/2' 'x-y, -y, z+1/2' _cell_length_a 12.6678(5) _cell_length_b 12.6678(5) _cell_length_c 10.3401(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 1437.00(10) _cell_formula_units_Z 2 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 8082 _cell_measurement_theta_min 2.71 _cell_measurement_theta_max 37.0 _exptl_crystal_size_max 0.56 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.354 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1004.5 _exptl_absorpt_coefficient_mu 0.766 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.759 _exptl_absorpt_correction_T_max 0.8618 _exptl_absorpt_process_details 'Bruker SADABS' _exptl_special_details ; SADABS was used to perform the Absorption correction Parameter refinement on 29351 reflections reduced R(int) from 0.0381 to 0.0250 Ratio of minimum to maximum apparent transmission: 0.847974 The given Tmax was generated using the SHELX SIZE command Tmis was calculated as Tmin = relative-correction-factor * Tmax. ; _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'fine-focus sealed tube' _diffrn_source_type SIEMENS _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'SMART APEX CCD' _diffrn_measurement_method \\w _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 34937 _diffrn_reflns_av_R_equivalents 0.0259 _diffrn_reflns_av_sigmaI/netI 0.0170 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.97 _diffrn_reflns_theta_max 37.00 _reflns_number_total 4893 _reflns_number_gt 4861 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART,version 5.625' _computing_cell_refinement 'SAINT version 6.45' _computing_data_reduction 'SAINT version 6.45' _computing_structure_solution 'SIR2004 (Burla et al., 2005)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL/NT (Sheldrick, 1999)' _computing_publication_material ; 'Win-GX (Farrugia, 1999) JAppl.Cryst.32,837-838' ; _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^)+(0.0474P)^2^+0.2777P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _refine_ls_extinction_method none _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.17(11) _refine_ls_number_reflns 4893 _refine_ls_number_parameters 181 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0272 _refine_ls_R_factor_gt 0.0271 _refine_ls_wR_factor_ref 0.0729 _refine_ls_wR_factor_gt 0.0728 _refine_ls_goodness_of_fit_ref 1.079 _refine_ls_restrained_S_all 1.079 _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 Na1 Na 0.0000 0.0000 -0.05046(19) 0.0297(3) Uani 1 3 d S . . Na2 Na 0.09409(7) 0.54839(10) 0.06456(7) 0.02096(13) Uani 1 1 d . . . Na3 Na 0.38224(8) 0.19195(9) 0.78076(8) 0.0236(2) Uani 0.977(4) 1 d P . . Na4 Na 0.6667 0.3333 0.1343(9) 0.033(2) Uani 0.629(15) 3 d SP . . K4 K 0.6667 0.3333 0.1216(6) 0.0200(7) Uani 0.371(15) 3 d SP . . Si1 Si 0.25095(5) 0.25174(5) 0.01900(6) 0.00733(7) Uani 1 1 d . . . Al1 Al 0.67451(3) 0.08715(4) 0.27024(7) 0.00799(9) Uani 1 1 d . . . Si2 Si 0.08046(4) 0.41921(4) 0.76879(6) 0.00760(8) Uani 1 1 d . . . Al2 Al 0.25498(5) -0.00068(7) 0.01822(7) 0.00773(9) Uani 1 1 d . . . O1 O 0.37726(13) 0.03051(14) 0.41525(14) 0.0130(2) Uani 1 1 d . . . O2 O 0.26845(10) 0.13877(12) -0.02493(10) 0.01265(16) Uani 1 1 d . . . O3 O 0.70811(13) -0.00139(13) 0.16744(14) 0.0129(2) Uani 1 1 d . . . O4 O 0.66409(13) 0.03166(14) 0.42729(15) 0.0137(2) Uani 1 1 d . . . O5 O 0.20961(10) 0.10835(13) 0.50372(10) 0.01404(17) Uani 1 1 d . . . O6 O 0.05970(9) 0.53043(12) 0.72638(9) 0.01192(15) Uani 1 1 d . . . O7 O 0.22351(11) 0.46479(10) 0.75578(13) 0.0162(2) Uani 1 1 d . . . O8 O 0.00270(11) 0.30717(13) 0.17437(14) 0.0121(2) Uani 1 1 d . . . C C 0.3333 0.6667 0.1588(3) 0.0176(4) Uani 1 3 d S . . O9 O 0.44809(15) 0.7248(3) 0.1465(3) 0.0554(7) Uani 1 1 d . . . O10 O 0.7979(7) 0.4424(8) -0.0759(12) 0.057(4) Uani 0.352(15) 1 d P . . O11 O 0.5594(7) 0.2052(7) -0.0716(11) 0.065(3) Uani 0.473(16) 1 d P . . O12 O 0.023(2) -0.0207(17) -0.2717(7) 0.063(4) Uani 0.344(8) 1 d P . . 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 Na1 0.0210(4) 0.0210(4) 0.0473(10) 0.000 0.000 0.01050(18) Na2 0.0207(3) 0.0213(4) 0.0203(3) 0.0012(4) 0.0016(2) 0.0101(3) Na3 0.0348(4) 0.0218(4) 0.0190(3) 0.0041(4) 0.0076(3) 0.0177(4) Na4 0.024(2) 0.024(2) 0.050(4) 0.000 0.000 0.0121(10) K4 0.0206(10) 0.0206(10) 0.0189(11) 0.000 0.000 0.0103(5) Si1 0.00771(17) 0.00712(17) 0.00737(17) 0.00001(14) -0.00034(14) 0.00385(11) Al1 0.00771(16) 0.00887(17) 0.0080(2) -0.00036(19) -0.0002(2) 0.00460(13) Si2 0.00864(14) 0.00718(14) 0.00741(18) 0.00010(15) -0.00031(15) 0.00427(11) Al2 0.0081(2) 0.00749(16) 0.0079(2) -0.00065(10) -0.00041(16) 0.00415(19) O1 0.0108(5) 0.0194(6) 0.0082(5) 0.0025(4) 0.0025(4) 0.0071(4) O2 0.0163(4) 0.0096(4) 0.0146(4) -0.0002(4) 0.0012(3) 0.0084(4) O3 0.0167(5) 0.0155(5) 0.0096(5) -0.0011(4) 0.0014(4) 0.0103(4) O4 0.0175(5) 0.0198(5) 0.0095(5) 0.0018(4) -0.0005(4) 0.0137(4) O5 0.0171(4) 0.0086(4) 0.0184(4) -0.0038(4) -0.0053(3) 0.0079(4) O6 0.0171(4) 0.0093(4) 0.0123(3) 0.0001(4) -0.0012(3) 0.0088(4) O7 0.0105(4) 0.0172(4) 0.0228(5) 0.0003(4) 0.0000(4) 0.0084(4) O8 0.0136(5) 0.0162(5) 0.0089(5) -0.0031(4) -0.0001(3) 0.0093(4) C 0.0144(5) 0.0144(5) 0.0240(11) 0.000 0.000 0.0072(3) O9 0.0173(6) 0.0250(9) 0.121(2) -0.0058(15) -0.0136(9) 0.0086(8) O10 0.035(4) 0.039(5) 0.076(8) -0.003(4) -0.028(4) 0.003(3) O11 0.047(4) 0.044(4) 0.087(6) 0.017(4) 0.017(4) 0.010(3) O12 0.091(13) 0.060(7) 0.038(3) -0.016(5) -0.009(6) 0.036(4) _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 Na1 O12 2.338(7) 3 ? Na1 O12 2.338(7) . ? Na1 O12 2.338(7) 2 ? Na1 O5 2.3672(12) 6_554 ? Na1 O5 2.3672(12) 5_554 ? Na1 O5 2.3672(12) 4_554 ? Na1 O12 2.923(7) 6 ? Na1 O12 2.923(7) 5 ? Na1 O12 2.923(7) 4 ? Na1 O2 2.9575(11) . ? Na1 O2 2.9575(11) 3 ? Na1 O2 2.9575(11) 2 ? Na2 O6 2.3762(12) 5_554 ? Na2 O9 2.410(3) 2_665 ? Na2 O4 2.4388(18) 4_554 ? Na2 O9 2.443(3) 3_565 ? Na2 O1 2.4465(18) 4_554 ? Na2 C 2.7997(12) . ? Na2 O8 2.9033(19) . ? Na2 O3 3.0121(18) 2 ? Na2 Si2 3.2449(10) 5_554 ? Na2 Al2 3.3156(13) 2 ? Na2 Si1 3.3294(13) 3_565 ? Na2 Al1 3.3424(10) 2 ? Na3 O9 2.322(2) 5_655 ? Na3 O8 2.3626(17) 4 ? Na3 O2 2.3658(13) 1_556 ? Na3 O3 2.3812(17) 5_665 ? Na3 O10 2.611(11) 2_656 ? Na3 O11 2.649(10) 1_556 ? Na3 O1 2.9682(18) 6 ? Na3 O4 2.9825(19) 5_665 ? Na3 Si2 3.2134(12) 3 ? Na3 Al1 3.2178(12) 5_665 ? Na3 Al2 3.2631(11) 1_556 ? Na3 Si1 3.2662(11) 1_556 ? Na4 O7 2.549(5) 5_654 ? Na4 O7 2.549(5) 6_664 ? Na4 O7 2.549(5) 4_554 ? Na4 O11 2.609(13) . ? Na4 O11 2.609(13) 2_655 ? Na4 O11 2.609(13) 3_665 ? Na4 O10 2.665(14) 3_665 ? Na4 O10 2.665(14) . ? Na4 O10 2.665(14) 2_655 ? Na4 Si2 3.461(4) 5_654 ? Na4 Si2 3.461(4) 4_554 ? Na4 Si2 3.461(4) 6_664 ? K4 O11 2.504(12) . ? K4 O11 2.504(12) 2_655 ? K4 O11 2.504(12) 3_665 ? K4 O10 2.559(13) 3_665 ? K4 O10 2.559(13) . ? K4 O10 2.559(13) 2_655 ? K4 O7 2.616(4) 5_654 ? K4 O7 2.616(4) 6_664 ? K4 O7 2.616(4) 4_554 ? K4 O6 3.191(2) 5_654 ? K4 O6 3.191(2) 4_554 ? K4 O6 3.191(2) 6_664 ? Si1 O5 1.6151(15) 4_554 ? Si1 O3 1.6158(15) 3_665 ? Si1 O2 1.6188(15) . ? Si1 O4 1.6221(15) 5_664 ? Si1 Na3 3.2662(11) 1_554 ? Si1 Na2 3.3294(13) 2_665 ? Si1 Na3 3.4428(11) 4_554 ? Al1 O7 1.7265(14) 5_654 ? Al1 O6 1.7387(15) 4_554 ? Al1 O3 1.7453(15) . ? Al1 O4 1.7482(17) . ? Al1 Na3 3.2178(12) 5_654 ? Al1 Na2 3.3424(11) 3 ? Al1 Na2 3.4587(11) 4 ? Si2 O7 1.6091(13) . ? Si2 O6 1.6178(15) . ? Si2 O1 1.6248(15) 4 ? Si2 O8 1.6262(14) 5 ? Si2 Na3 3.2134(12) 2 ? Si2 Na2 3.2449(10) 5 ? Si2 Na2 3.4319(11) 1_556 ? Si2 Na4 3.461(4) 4 ? Si2 K4 3.516(3) 4 ? Al2 O8 1.7369(16) 3 ? Al2 O5 1.7375(16) 6_554 ? Al2 O2 1.7456(16) . ? Al2 O1 1.7514(15) 6_554 ? Al2 Na3 3.2631(11) 1_554 ? Al2 Na2 3.3156(13) 3 ? Al2 Na3 3.4535(12) 6_554 ? O1 Si2 1.6248(15) 4_554 ? O1 Al2 1.7514(15) 6 ? O1 Na2 2.4465(18) 4 ? O1 Na3 2.9682(18) 6_554 ? O2 Na3 2.3658(13) 1_554 ? O3 Si1 1.6158(15) 2_655 ? O3 Na3 2.3812(17) 5_654 ? O3 Na2 3.0121(18) 3 ? O4 Si1 1.6221(15) 5_655 ? O4 Na2 2.4388(18) 4 ? O4 Na3 2.9825(19) 5_654 ? O5 Si1 1.6151(15) 4 ? O5 Al2 1.7375(16) 6 ? O5 Na1 2.3672(12) 4 ? O6 Al1 1.7387(15) 4 ? O6 Na2 2.3762(12) 5 ? O6 K4 3.191(2) 4 ? O7 Al1 1.7265(14) 5_665 ? O7 Na4 2.549(5) 4 ? O7 K4 2.616(4) 4 ? O8 Si2 1.6262(14) 5_554 ? O8 Al2 1.7369(16) 2 ? O8 Na3 2.3626(17) 4_554 ? C O9 1.2653(17) 2_665 ? C O9 1.2653(17) 3_565 ? C O9 1.2653(17) . ? C Na2 2.7997(12) 3_565 ? C Na2 2.7997(12) 2_665 ? O9 Na3 2.322(2) 5_664 ? O9 Na2 2.410(3) 3_565 ? O9 Na2 2.443(3) 2_665 ? O10 O11 1.100(8) 2_655 ? O10 Na3 2.611(11) 3_664 ? O11 O10 1.100(8) 3_665 ? O11 Na3 2.649(10) 1_554 ? O12 O12 0.840(15) 3 ? O12 O12 0.840(15) 2 ? O12 Na1 2.923(7) 4_554 ? 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 O12 Na1 O5 108.8(5) 3 6_554 ? O12 Na1 O5 91.7(2) . 6_554 ? O12 Na1 O5 110.0(5) 2 6_554 ? O12 Na1 O5 91.7(2) 3 5_554 ? O12 Na1 O5 110.0(5) . 5_554 ? O12 Na1 O5 108.8(5) 2 5_554 ? O5 Na1 O5 114.58(4) 6_554 5_554 ? O12 Na1 O5 110.0(5) 3 4_554 ? O12 Na1 O5 108.8(5) . 4_554 ? O12 Na1 O5 91.7(2) 2 4_554 ? O5 Na1 O5 114.58(4) 6_554 4_554 ? O5 Na1 O5 114.58(4) 5_554 4_554 ? O12 Na1 O12 177.5(3) 3 6 ? O12 Na1 O12 161.0(7) . 6 ? O12 Na1 O12 161.7(5) 2 6 ? O5 Na1 O12 71.6(4) 6_554 6 ? O5 Na1 O12 85.87(18) 5_554 6 ? O5 Na1 O12 71.8(4) 4_554 6 ? O12 Na1 O12 161.0(7) 3 5 ? O12 Na1 O12 161.7(5) . 5 ? O12 Na1 O12 177.5(3) 2 5 ? O5 Na1 O12 71.8(4) 6_554 5 ? O5 Na1 O12 71.6(4) 5_554 5 ? O5 Na1 O12 85.87(18) 4_554 5 ? O12 Na1 O12 161.7(5) 3 4 ? O12 Na1 O12 177.5(3) . 4 ? O12 Na1 O12 161.0(7) 2 4 ? O5 Na1 O12 85.87(18) 6_554 4 ? O5 Na1 O12 71.8(4) 5_554 4 ? O5 Na1 O12 71.6(4) 4_554 4 ? O12 Na1 O2 107.1(2) 3 . ? O12 Na1 O2 88.9(5) . . ? O12 Na1 O2 89.2(5) 2 . ? O5 Na1 O2 61.85(5) 6_554 . ? O5 Na1 O2 161.06(9) 5_554 . ? O5 Na1 O2 57.49(5) 4_554 . ? O12 Na1 O2 75.34(16) 6 . ? O12 Na1 O2 90.1(4) 5 . ? O12 Na1 O2 89.2(4) 4 . ? O12 Na1 O2 88.9(5) 3 3 ? O12 Na1 O2 89.2(5) . 3 ? O12 Na1 O2 107.1(2) 2 3 ? O5 Na1 O2 57.49(5) 6_554 3 ? O5 Na1 O2 61.85(5) 5_554 3 ? O5 Na1 O2 161.06(9) 4_554 3 ? O12 Na1 O2 89.2(4) 6 3 ? O12 Na1 O2 75.34(16) 5 3 ? O12 Na1 O2 90.1(4) 4 3 ? O2 Na1 O2 119.213(13) . 3 ? O12 Na1 O2 89.2(5) 3 2 ? O12 Na1 O2 107.1(2) . 2 ? O12 Na1 O2 88.9(5) 2 2 ? O5 Na1 O2 161.06(9) 6_554 2 ? O5 Na1 O2 57.49(5) 5_554 2 ? O5 Na1 O2 61.85(5) 4_554 2 ? O12 Na1 O2 90.1(4) 6 2 ? O12 Na1 O2 89.2(4) 5 2 ? O12 Na1 O2 75.34(16) 4 2 ? O2 Na1 O2 119.212(13) . 2 ? O2 Na1 O2 119.213(13) 3 2 ? O6 Na2 O9 109.85(8) 5_554 2_665 ? O6 Na2 O4 102.33(6) 5_554 4_554 ? O9 Na2 O4 95.62(8) 2_665 4_554 ? O6 Na2 O9 109.64(8) 5_554 3_565 ? O9 Na2 O9 53.39(8) 2_665 3_565 ? O4 Na2 O9 141.22(7) 4_554 3_565 ? O6 Na2 O1 103.83(6) 5_554 4_554 ? O9 Na2 O1 140.98(7) 2_665 4_554 ? O4 Na2 O1 95.93(5) 4_554 4_554 ? O9 Na2 O1 97.14(8) 3_565 4_554 ? O6 Na2 C 114.87(6) 5_554 . ? O4 Na2 C 118.06(6) 4_554 . ? O1 Na2 C 118.85(6) 4_554 . ? O6 Na2 O8 58.40(5) 5_554 . ? O9 Na2 O8 121.69(8) 2_665 . ? O4 Na2 O8 141.42(5) 4_554 . ? O9 Na2 O8 76.07(6) 3_565 . ? O1 Na2 O8 62.15(4) 4_554 . ? C Na2 O8 100.51(5) . . ? O6 Na2 O3 60.99(5) 5_554 2 ? O9 Na2 O3 76.54(6) 2_665 2 ? O4 Na2 O3 56.28(4) 4_554 2 ? O9 Na2 O3 123.47(8) 3_565 2 ? O1 Na2 O3 139.12(5) 4_554 2 ? C Na2 O3 101.47(5) . 2 ? O8 Na2 O3 119.32(4) . 2 ? O9 Na2 Si2 118.00(8) 2_665 5_554 ? O4 Na2 Si2 125.28(5) 4_554 5_554 ? O9 Na2 Si2 92.34(6) 3_565 5_554 ? O1 Na2 Si2 84.14(4) 4_554 5_554 ? C Na2 Si2 108.90(5) . 5_554 ? O3 Na2 Si2 89.29(3) 2 5_554 ? O6 Na2 Al2 83.02(5) 5_554 2 ? O9 Na2 Al2 136.25(6) 2_665 2 ? O4 Na2 Al2 123.13(5) 4_554 2 ? O9 Na2 Al2 82.86(5) 3_565 2 ? O1 Na2 Al2 30.97(4) 4_554 2 ? C Na2 Al2 109.53(4) . 2 ? O8 Na2 Al2 31.56(3) . 2 ? O3 Na2 Al2 140.07(4) 2 2 ? Si2 Na2 Al2 57.50(2) 5_554 2 ? O6 Na2 Si1 83.40(5) 5_554 3_565 ? O9 Na2 Si1 83.46(6) 2_665 3_565 ? O9 Na2 Si1 136.84(6) 3_565 3_565 ? O1 Na2 Si1 120.13(5) 4_554 3_565 ? C Na2 Si1 110.07(4) . 3_565 ? O8 Na2 Si1 138.76(4) . 3_565 ? Si2 Na2 Si1 111.11(3) 5_554 3_565 ? Al2 Na2 Si1 140.27(3) 2 3_565 ? O9 Na2 Al1 92.80(6) 2_665 2 ? O4 Na2 Al1 80.12(5) 4_554 2 ? O9 Na2 Al1 119.39(8) 3_565 2 ? O1 Na2 Al1 125.89(5) 4_554 2 ? C Na2 Al1 109.83(5) . 2 ? O8 Na2 Al1 87.98(3) . 2 ? Si2 Na2 Al1 57.958(15) 5_554 2 ? Al2 Na2 Al1 111.70(3) 2 2 ? Si1 Na2 Al1 56.29(2) 3_565 2 ? O9 Na3 O8 90.05(9) 5_655 4 ? O9 Na3 O2 158.53(9) 5_655 1_556 ? O8 Na3 O2 103.16(6) 4 1_556 ? O9 Na3 O3 92.28(9) 5_655 5_665 ? O8 Na3 O3 104.35(6) 4 5_665 ? O2 Na3 O3 100.55(6) 1_556 5_665 ? O9 Na3 O10 75.4(3) 5_655 2_656 ? O8 Na3 O10 145.10(19) 4 2_656 ? O2 Na3 O10 84.2(3) 1_556 2_656 ? O3 Na3 O10 107.7(3) 5_665 2_656 ? O9 Na3 O11 75.9(2) 5_655 1_556 ? O8 Na3 O11 103.4(2) 4 1_556 ? O2 Na3 O11 84.5(2) 1_556 1_556 ? O3 Na3 O11 149.80(19) 5_665 1_556 ? O10 Na3 O11 42.7(2) 2_656 1_556 ? O9 Na3 O1 112.64(9) 5_655 6 ? O8 Na3 O1 57.44(4) 4 6 ? O2 Na3 O1 63.28(5) 1_556 6 ? O3 Na3 O1 147.56(6) 5_665 6 ? O10 Na3 O1 98.7(3) 2_656 6 ? O11 Na3 O1 60.77(16) 1_556 6 ? O9 Na3 O4 116.14(9) 5_655 5_665 ? O8 Na3 O4 149.76(6) 4 5_665 ? O2 Na3 O4 57.44(5) 1_556 5_665 ? O3 Na3 O4 62.19(5) 5_665 5_665 ? O10 Na3 O4 61.75(16) 2_656 5_665 ? O11 Na3 O4 97.8(2) 1_556 5_665 ? O1 Na3 O4 118.51(4) 6 5_665 ? O9 Na3 Si2 95.49(8) 5_655 3 ? O8 Na3 Si2 29.13(4) 4 3 ? O2 Na3 Si2 88.51(4) 1_556 3 ? O3 Na3 Si2 132.44(5) 5_665 3 ? O10 Na3 Si2 119.6(2) 2_656 3 ? O11 Na3 Si2 77.0(2) 1_556 3 ? O4 Na3 Si2 145.95(4) 5_665 3 ? O9 Na3 Al1 97.77(8) 5_655 5_665 ? O8 Na3 Al1 135.60(5) 4 5_665 ? O2 Na3 Al1 84.67(4) 1_556 5_665 ? O10 Na3 Al1 78.5(2) 2_656 5_665 ? O11 Na3 Al1 121.0(2) 1_556 5_665 ? O1 Na3 Al1 147.90(4) 6 5_665 ? Si2 Na3 Al1 159.87(3) 3 5_665 ? O9 Na3 Al2 142.43(8) 5_655 1_556 ? O8 Na3 Al2 78.10(4) 4 1_556 ? O3 Na3 Al2 125.10(5) 5_665 1_556 ? O10 Na3 Al2 94.1(3) 2_656 1_556 ? O11 Na3 Al2 72.54(17) 1_556 1_556 ? O4 Na3 Al2 88.14(4) 5_665 1_556 ? Si2 Na3 Al2 58.04(2) 3 1_556 ? Al1 Na3 Al2 115.70(3) 5_665 1_556 ? O9 Na3 Si1 143.56(9) 5_655 1_556 ? O8 Na3 Si1 126.38(5) 4 1_556 ? O3 Na3 Si1 79.37(4) 5_665 1_556 ? O10 Na3 Si1 73.61(19) 2_656 1_556 ? O11 Na3 Si1 93.7(2) 1_556 1_556 ? O1 Na3 Si1 90.79(4) 6 1_556 ? Si2 Na3 Si1 116.38(3) 3 1_556 ? Al1 Na3 Si1 57.53(2) 5_665 1_556 ? Al2 Na3 Si1 59.164(17) 1_556 1_556 ? O7 Na4 O7 97.8(2) 5_654 6_664 ? O7 Na4 O7 97.8(2) 5_654 4_554 ? O7 Na4 O7 97.8(2) 6_664 4_554 ? O7 Na4 O11 110.6(2) 5_654 . ? O7 Na4 O11 149.4(3) 6_664 . ? O7 Na4 O11 89.67(19) 4_554 . ? O7 Na4 O11 89.67(19) 5_654 2_655 ? O7 Na4 O11 110.6(2) 6_664 2_655 ? O7 Na4 O11 149.4(3) 4_554 2_655 ? O11 Na4 O11 60.1(3) . 2_655 ? O7 Na4 O11 149.4(3) 5_654 3_665 ? O7 Na4 O11 89.67(19) 6_664 3_665 ? O7 Na4 O11 110.6(2) 4_554 3_665 ? O11 Na4 O11 60.1(3) . 3_665 ? O11 Na4 O11 60.1(3) 2_655 3_665 ? O7 Na4 O10 91.6(2) 5_654 3_665 ? O7 Na4 O10 151.7(3) 6_664 3_665 ? O7 Na4 O10 107.3(2) 4_554 3_665 ? O11 Na4 O10 42.6(2) 2_655 3_665 ? O11 Na4 O10 69.7(3) 3_665 3_665 ? O7 Na4 O10 107.3(2) 5_654 . ? O7 Na4 O10 91.6(2) 6_664 . ? O7 Na4 O10 151.7(3) 4_554 . ? O11 Na4 O10 69.7(3) . . ? O11 Na4 O10 42.6(2) 3_665 . ? O10 Na4 O10 60.1(3) 3_665 . ? O7 Na4 O10 151.7(3) 5_654 2_655 ? O7 Na4 O10 107.3(2) 6_664 2_655 ? O7 Na4 O10 91.6(2) 4_554 2_655 ? O11 Na4 O10 69.7(3) 2_655 2_655 ? O10 Na4 O10 60.1(3) 3_665 2_655 ? O10 Na4 O10 60.1(3) . 2_655 ? O7 Na4 Si2 80.06(13) 6_664 5_654 ? O7 Na4 Si2 118.6(3) 4_554 5_654 ? O11 Na4 Si2 122.0(2) . 5_654 ? O11 Na4 Si2 78.65(16) 2_655 5_654 ? O11 Na4 Si2 130.6(3) 3_665 5_654 ? O10 Na4 Si2 98.5(3) 3_665 5_654 ? O10 Na4 Si2 89.2(2) . 5_654 ? O10 Na4 Si2 148.1(3) 2_655 5_654 ? O7 Na4 Si2 80.06(13) 5_654 4_554 ? O7 Na4 Si2 118.6(3) 6_664 4_554 ? O11 Na4 Si2 78.65(16) . 4_554 ? O11 Na4 Si2 130.6(3) 2_655 4_554 ? O11 Na4 Si2 122.0(2) 3_665 4_554 ? O10 Na4 Si2 89.2(2) 3_665 4_554 ? O10 Na4 Si2 148.1(3) . 4_554 ? O10 Na4 Si2 98.5(3) 2_655 4_554 ? Si2 Na4 Si2 104.94(15) 5_654 4_554 ? O7 Na4 Si2 118.6(3) 5_654 6_664 ? O7 Na4 Si2 80.06(13) 4_554 6_664 ? O11 Na4 Si2 130.6(3) . 6_664 ? O11 Na4 Si2 122.0(2) 2_655 6_664 ? O11 Na4 Si2 78.65(16) 3_665 6_664 ? O10 Na4 Si2 148.1(3) 3_665 6_664 ? O10 Na4 Si2 98.5(3) . 6_664 ? O10 Na4 Si2 89.2(2) 2_655 6_664 ? Si2 Na4 Si2 104.94(15) 5_654 6_664 ? Si2 Na4 Si2 104.94(15) 4_554 6_664 ? O11 K4 O11 62.9(3) . 2_655 ? O11 K4 O11 62.9(3) . 3_665 ? O11 K4 O11 62.9(3) 2_655 3_665 ? O11 K4 O10 73.0(2) 3_665 3_665 ? O11 K4 O10 73.0(2) . . ? O11 K4 O10 25.1(2) 2_655 . ? O10 K4 O10 62.9(3) 3_665 . ? O11 K4 O10 73.0(2) 2_655 2_655 ? O10 K4 O10 62.9(3) 3_665 2_655 ? O10 K4 O10 62.9(3) . 2_655 ? O11 K4 O7 111.8(2) . 5_654 ? O11 K4 O7 90.52(19) 2_655 5_654 ? O11 K4 O7 152.8(3) 3_665 5_654 ? O10 K4 O7 92.5(2) 3_665 5_654 ? O10 K4 O7 108.5(2) . 5_654 ? O10 K4 O7 155.3(3) 2_655 5_654 ? O11 K4 O7 152.8(3) . 6_664 ? O11 K4 O7 111.8(2) 2_655 6_664 ? O11 K4 O7 90.52(19) 3_665 6_664 ? O10 K4 O7 155.3(3) 3_665 6_664 ? O10 K4 O7 92.5(2) . 6_664 ? O10 K4 O7 108.5(2) 2_655 6_664 ? O7 K4 O7 94.48(16) 5_654 6_664 ? O11 K4 O7 90.52(19) . 4_554 ? O11 K4 O7 152.8(3) 2_655 4_554 ? O11 K4 O7 111.8(2) 3_665 4_554 ? O10 K4 O7 108.5(2) 3_665 4_554 ? O10 K4 O7 155.3(3) . 4_554 ? O10 K4 O7 92.5(2) 2_655 4_554 ? O7 K4 O7 94.48(16) 5_654 4_554 ? O7 K4 O7 94.48(16) 6_664 4_554 ? O11 K4 O6 135.6(3) . 5_654 ? O11 K4 O6 75.13(18) 2_655 5_654 ? O11 K4 O6 110.8(2) 3_665 5_654 ? O10 K4 O6 111.2(3) 3_665 5_654 ? O10 K4 O6 75.02(18) . 5_654 ? O10 K4 O6 135.2(3) 2_655 5_654 ? O7 K4 O6 52.29(6) 5_654 5_654 ? O7 K4 O6 56.98(7) 6_664 5_654 ? O7 K4 O6 128.1(2) 4_554 5_654 ? O11 K4 O6 75.13(18) . 4_554 ? O11 K4 O6 110.8(2) 2_655 4_554 ? O11 K4 O6 135.6(3) 3_665 4_554 ? O10 K4 O6 75.02(18) 3_665 4_554 ? O10 K4 O6 135.2(3) . 4_554 ? O10 K4 O6 111.2(3) 2_655 4_554 ? O7 K4 O6 56.98(7) 5_654 4_554 ? O7 K4 O6 128.1(2) 6_664 4_554 ? O7 K4 O6 52.29(6) 4_554 4_554 ? O6 K4 O6 109.10(11) 5_654 4_554 ? O11 K4 O6 110.8(2) . 6_664 ? O11 K4 O6 135.6(3) 2_655 6_664 ? O11 K4 O6 75.13(18) 3_665 6_664 ? O10 K4 O6 135.2(3) 3_665 6_664 ? O10 K4 O6 111.2(3) . 6_664 ? O10 K4 O6 75.02(18) 2_655 6_664 ? O7 K4 O6 128.1(2) 5_654 6_664 ? O7 K4 O6 52.29(6) 6_664 6_664 ? O7 K4 O6 56.98(7) 4_554 6_664 ? O6 K4 O6 109.10(11) 5_654 6_664 ? O6 K4 O6 109.10(11) 4_554 6_664 ? O5 Si1 O3 108.45(7) 4_554 3_665 ? O5 Si1 O2 107.78(6) 4_554 . ? O3 Si1 O2 112.76(7) 3_665 . ? O5 Si1 O4 111.61(8) 4_554 5_664 ? O3 Si1 O4 108.03(7) 3_665 5_664 ? O2 Si1 O4 108.26(7) . 5_664 ? O3 Si1 Na1 120.92(6) 3_665 . ? O2 Si1 Na1 64.63(4) . . ? O4 Si1 Na1 129.55(7) 5_664 . ? O5 Si1 Na3 117.68(5) 4_554 1_554 ? O3 Si1 Na3 132.51(5) 3_665 1_554 ? O4 Si1 Na3 65.44(6) 5_664 1_554 ? Na1 Si1 Na3 88.14(3) . 1_554 ? O5 Si1 Na2 119.06(5) 4_554 2_665 ? O3 Si1 Na2 64.55(5) 3_665 2_665 ? O2 Si1 Na2 131.53(5) . 2_665 ? Na1 Si1 Na2 161.78(3) . 2_665 ? Na3 Si1 Na2 99.99(3) 1_554 2_665 ? O5 Si1 Na3 76.12(5) 4_554 4_554 ? O2 Si1 Na3 143.48(5) . 4_554 ? O4 Si1 Na3 103.32(6) 5_664 4_554 ? Na1 Si1 Na3 107.63(3) . 4_554 ? Na3 Si1 Na3 164.21(3) 1_554 4_554 ? Na2 Si1 Na3 65.12(2) 2_665 4_554 ? O7 Al1 O6 108.70(6) 5_654 4_554 ? O7 Al1 O3 112.89(7) 5_654 . ? O6 Al1 O3 106.35(7) 4_554 . ? O7 Al1 O4 113.48(7) 5_654 . ? O6 Al1 O4 107.53(6) 4_554 . ? O3 Al1 O4 107.52(7) . . ? O7 Al1 Na3 150.49(5) 5_654 5_654 ? O6 Al1 Na3 98.71(4) 4_554 5_654 ? O3 Al1 Na3 46.51(5) . 5_654 ? O4 Al1 Na3 66.34(6) . 5_654 ? O7 Al1 Na2 128.12(6) 5_654 3 ? O3 Al1 Na2 63.83(5) . 3 ? O4 Al1 Na2 116.46(6) . 3 ? Na3 Al1 Na2 67.50(2) 5_654 3 ? O7 Al1 Na2 98.13(5) 5_654 4 ? O6 Al1 Na2 77.44(4) 4_554 4 ? O3 Al1 Na2 144.72(6) . 4 ? Na3 Al1 Na2 98.29(3) 5_654 4 ? Na2 Al1 Na2 109.87(3) 3 4 ? O6 Al1 Na4 64.84(4) 4_554 . ? O3 Al1 Na4 117.19(14) . . ? O4 Al1 Na4 135.07(14) . . ? Na3 Al1 Na4 154.81(12) 5_654 . ? Na2 Al1 Na4 88.30(9) 3 . ? Na2 Al1 Na4 96.46(12) 4 . ? O6 Al1 K4 64.64(4) 4_554 . ? O3 Al1 K4 115.29(10) . . ? O4 Al1 K4 137.00(11) . . ? Na3 Al1 K4 153.12(8) 5_654 . ? Na2 Al1 K4 86.98(7) 3 . ? Na2 Al1 K4 98.25(9) 4 . ? O7 Si2 O6 108.01(6) . . ? O7 Si2 O1 112.32(8) . 4 ? O6 Si2 O1 109.34(7) . 4 ? O7 Si2 O8 112.37(7) . 5 ? O6 Si2 O8 107.51(7) . 5 ? O1 Si2 O8 107.15(7) 4 5 ? O7 Si2 Na3 146.68(5) . 2 ? O6 Si2 Na3 103.15(4) . 2 ? O1 Si2 Na3 66.55(6) 4 2 ? O7 Si2 Na2 128.23(6) . 5 ? O1 Si2 Na2 118.08(6) 4 5 ? O8 Si2 Na2 63.28(6) 5 5 ? Na3 Si2 Na2 69.56(2) 2 5 ? O7 Si2 Na2 97.14(5) . 1_556 ? O6 Si2 Na2 79.49(4) . 1_556 ? O8 Si2 Na2 144.77(6) 5 1_556 ? Na3 Si2 Na2 99.86(2) 2 1_556 ? Na2 Si2 Na2 112.95(3) 5 1_556 ? O6 Si2 Na4 65.30(4) . 4 ? O1 Si2 Na4 134.71(15) 4 4 ? O8 Si2 Na4 117.44(14) 5 4 ? Na3 Si2 Na4 157.33(13) 2 4 ? Na2 Si2 Na4 89.99(10) 5 4 ? Na2 Si2 Na4 97.07(13) 1_556 4 ? O6 Si2 K4 65.07(4) . 4 ? O1 Si2 K4 136.65(11) 4 4 ? O8 Si2 K4 115.55(10) 5 4 ? Na3 Si2 K4 155.48(9) 2 4 ? Na2 Si2 K4 88.61(7) 5 4 ? Na2 Si2 K4 98.88(9) 1_556 4 ? O8 Al2 O5 109.86(6) 3 6_554 ? O8 Al2 O2 113.52(6) 3 . ? O5 Al2 O2 106.05(6) 6_554 . ? O8 Al2 O1 106.17(6) 3 6_554 ? O5 Al2 O1 112.49(7) 6_554 6_554 ? O2 Al2 O1 108.87(7) . 6_554 ? O8 Al2 Na3 131.57(5) 3 1_554 ? O5 Al2 Na3 117.57(5) 6_554 1_554 ? O1 Al2 Na3 64.59(6) 6_554 1_554 ? O8 Al2 Na1 124.00(6) 3 . ? O2 Al2 Na1 62.91(4) . . ? O1 Al2 Na1 128.59(6) 6_554 . ? Na3 Al2 Na1 87.39(3) 1_554 . ? O8 Al2 Na2 61.02(5) 3 3 ? O5 Al2 Na2 119.13(5) 6_554 3 ? O2 Al2 Na2 133.75(5) . 3 ? Na3 Al2 Na2 101.30(3) 1_554 3 ? Na1 Al2 Na2 161.77(3) . 3 ? O5 Al2 Na3 74.78(4) 6_554 6_554 ? O2 Al2 Na3 141.24(5) . 6_554 ? O1 Al2 Na3 106.06(6) 6_554 6_554 ? Na3 Al2 Na3 166.25(4) 1_554 6_554 ? Na1 Al2 Na3 106.31(3) . 6_554 ? Na2 Al2 Na3 65.91(2) 3 6_554 ? Si2 O1 Al2 137.03(9) 4_554 6 ? Si2 O1 Na2 113.36(7) 4_554 4 ? Al2 O1 Na2 103.09(7) 6 4 ? Si2 O1 Na3 83.30(6) 4_554 6_554 ? Al2 O1 Na3 83.21(6) 6 6_554 ? Na2 O1 Na3 139.75(7) 4 6_554 ? Si1 O2 Al2 146.67(7) . . ? Si1 O2 Na3 108.66(7) . 1_554 ? Al2 O2 Na3 104.04(6) . 1_554 ? Si1 O2 Na1 85.72(5) . . ? Al2 O2 Na1 85.39(5) . . ? Na3 O2 Na1 116.69(6) 1_554 . ? Si1 O3 Al1 138.83(9) 2_655 . ? Si1 O3 Na3 117.66(7) 2_655 5_654 ? Al1 O3 Na3 101.36(7) . 5_654 ? Si1 O3 Na2 86.47(6) 2_655 3 ? Al1 O3 Na2 84.83(6) . 3 ? Na3 O3 Na2 84.21(5) 5_654 3 ? Si1 O4 Al1 135.58(9) 5_655 . ? Si1 O4 Na2 108.47(8) 5_655 4 ? Al1 O4 Na2 110.31(7) . 4 ? Si1 O4 Na3 84.91(6) 5_655 5_654 ? Al1 O4 Na3 81.19(6) . 5_654 ? Na2 O4 Na3 137.26(7) 4 5_654 ? Si1 O5 Al2 144.75(7) 4 6 ? Si1 O5 Na1 108.62(7) 4 4 ? Al2 O5 Na1 106.54(6) 6 4 ? Si2 O6 Al1 144.02(7) . 4 ? Si2 O6 Na2 107.14(7) . 5 ? Al1 O6 Na2 107.63(7) 4 5 ? Si2 O6 K4 87.56(6) . 4 ? Al1 O6 K4 85.86(5) 4 4 ? Na2 O6 K4 115.40(11) 5 4 ? Si2 O7 Al1 141.20(8) . 5_665 ? Si2 O7 Na4 110.67(7) . 4 ? Al1 O7 Na4 106.81(6) 5_665 4 ? Si2 O7 K4 110.37(7) . 4 ? Al1 O7 K4 106.62(6) 5_665 4 ? Si2 O8 Al2 139.54(9) 5_554 2 ? Si2 O8 Na3 105.86(7) 5_554 4_554 ? Al2 O8 Na3 113.92(7) 2 4_554 ? Si2 O8 Na2 86.70(6) 5_554 . ? Al2 O8 Na2 87.42(6) 2 . ? Na3 O8 Na2 88.17(5) 4_554 . ? O9 C O9 119.01(7) 2_665 3_565 ? O9 C O9 119.01(7) 2_665 . ? O9 C O9 119.01(7) 3_565 . ? O9 C Na2 59.15(15) 2_665 . ? O9 C Na2 60.68(15) 3_565 . ? O9 C Na2 153.9(2) . . ? O9 C Na2 60.68(15) 2_665 3_565 ? O9 C Na2 153.9(2) 3_565 3_565 ? O9 C Na2 59.15(15) . 3_565 ? Na2 C Na2 108.56(5) . 3_565 ? O9 C Na2 153.9(2) 2_665 2_665 ? O9 C Na2 59.15(15) 3_565 2_665 ? O9 C Na2 60.68(15) . 2_665 ? Na2 C Na2 108.56(5) . 2_665 ? Na2 C Na2 108.56(5) 3_565 2_665 ? C O9 Na3 137.5(2) . 5_664 ? C O9 Na2 94.05(15) . 3_565 ? Na3 O9 Na2 100.80(10) 5_664 3_565 ? C O9 Na2 92.48(16) . 2_665 ? Na3 O9 Na2 101.24(10) 5_664 2_665 ? Na2 O9 Na2 139.03(15) 3_565 2_665 ? O11 O10 K4 74.7(10) 2_655 . ? O11 O10 Na3 147.7(13) 2_655 3_664 ? K4 O10 Na3 131.2(5) . 3_664 ? O11 O10 Na4 75.2(10) 2_655 . ? Na3 O10 Na4 131.3(5) 3_664 . ? O10 O11 K4 80.3(10) 3_665 . ? O10 O11 Na4 80.8(10) 3_665 . ? O10 O11 Na3 142.1(13) 3_665 1_554 ? K4 O11 Na3 132.0(4) . 1_554 ? Na4 O11 Na3 132.1(4) . 1_554 ? O12 O12 O12 60.000(1) 3 2 ? O12 O12 Na1 79.65(18) 3 . ? O12 O12 Na1 79.65(18) 2 . ? O12 O12 Na1 81.74(15) 3 4_554 ? O12 O12 Na1 81.74(15) 2 4_554 ? Na1 O12 Na1 158.5(4) . 4_554 ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 37.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.237 _refine_diff_density_min -0.761 _refine_diff_density_rms 0.104