 
data_tsg 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'H3.80 Al7.20 B3 Ca0.02 F0.40 Li0.54 Mn1.33 Na0.70 O30.60 Si6 Ti0.03' 
_chemical_formula_weight          991.58 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'O'  'O'   0.0080   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' 
 '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' 
 'Mn'  'Mn'   0.3368   0.7283 
 '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' 
 'Li'  'Li'  -0.0003   0.0001 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ti'  'Ti'   0.2776   0.4457 
 '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' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-y, x-y, z' 
 '-x+y, -x, z' 
 '-y, -x, z' 
 '-x+y, y, z' 
 'x, x-y, z' 
 'x+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                    15.9461(5) 
_cell_length_b                    15.9461(5) 
_cell_length_c                    7.1380(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 120.00 
_cell_volume                      1571.87(10) 
_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        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     3.143 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1649 
_exptl_absorpt_coefficient_mu     2.004 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             1682 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0215 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        22 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        22 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          2.55 
_diffrn_reflns_theta_max          34.99 
_reflns_number_total              1682 
_reflns_number_gt                 1649 
_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^)+(0.0231P)^2^+1.9999P] 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        0.0071(3) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.127(18) 
_refine_ls_number_reflns          1682 
_refine_ls_number_parameters      94 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0212 
_refine_ls_R_factor_gt            0.0205 
_refine_ls_wR_factor_ref          0.0516 
_refine_ls_wR_factor_gt           0.0513 
_refine_ls_goodness_of_fit_ref    1.122 
_refine_ls_restrained_S_all       1.122 
_refine_ls_shift/su_max           0.000 
_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 
NaX Na 0.0000 0.0000 0.2286(4) 0.0269(8) Uani 0.760(10) 6 d SP . . 
MnY Mn 0.12399(4) 0.061995(19) 0.62408(9) 0.01130(14) Uani 0.612(3) 2 d SP . . 
LiY Li 0.12399(4) 0.061995(19) 0.62408(9) 0.01130(14) Uani 0.388(3) 2 d SP . . 
AlZ Al 0.29803(3) 0.26129(3) 0.61115(7) 0.00602(11) Uani 1.017(3) 1 d P . . 
B B 0.10993(8) 0.21986(15) 0.4543(3) 0.0067(3) Uani 1 2 d S . . 
Si Si 0.19190(2) 0.18997(3) 0.0000 0.00479(8) Uani 1 1 d . . . 
O1 O 0.0000 0.0000 0.7794(5) 0.0443(12) Uani 1 6 d S . . 
O2 O 0.06139(6) 0.12277(12) 0.4818(3) 0.0197(4) Uani 1 2 d S . . 
O3 O 0.26843(13) 0.13422(7) 0.5100(2) 0.0115(3) Uani 1 2 d S . . 
H3 H 0.259(3) 0.1297(13) 0.401(5) 0.017 Uiso 1 2 d S . . 
O4 O 0.09351(6) 0.18702(11) 0.0701(2) 0.0085(2) Uani 1 2 d S . . 
O5 O 0.18698(11) 0.09349(6) 0.0917(2) 0.0084(2) Uani 1 2 d S . . 
O6 O 0.19732(7) 0.18723(7) 0.77527(15) 0.00785(17) Uani 1 1 d . . . 
O7 O 0.28539(7) 0.28583(7) 0.08002(14) 0.00625(16) Uani 1 1 d . . . 
O8 O 0.21011(7) 0.27092(8) 0.44140(15) 0.00796(17) 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 
NaX 0.0299(11) 0.0299(11) 0.0209(13) 0.000 0.000 0.0149(5) 
MnY 0.0108(2) 0.00802(17) 0.0160(2) -0.00127(8) -0.00255(15) 0.00540(11) 
LiY 0.0108(2) 0.00802(17) 0.0160(2) -0.00127(8) -0.00255(15) 0.00540(11) 
AlZ 0.00627(18) 0.00725(18) 0.00470(16) 0.00054(13) -0.00009(12) 0.00351(13) 
B 0.0072(5) 0.0059(7) 0.0065(7) 0.0003(6) 0.0002(3) 0.0029(4) 
Si 0.00498(15) 0.00475(14) 0.00456(13) -0.00035(11) -0.00002(11) 0.00238(11) 
O1 0.064(2) 0.064(2) 0.0050(13) 0.000 0.000 0.0320(10) 
O2 0.0305(8) 0.0060(6) 0.0144(7) 0.0005(5) 0.0003(3) 0.0030(3) 
O3 0.0237(8) 0.0104(4) 0.0047(5) -0.0003(3) -0.0006(5) 0.0119(4) 
O4 0.0069(4) 0.0125(6) 0.0079(5) -0.0013(5) -0.0007(2) 0.0063(3) 
O5 0.0142(6) 0.0066(4) 0.0071(5) 0.0009(2) 0.0018(5) 0.0071(3) 
O6 0.0088(4) 0.0095(4) 0.0043(3) -0.0004(3) 0.0007(3) 0.0038(3) 
O7 0.0061(4) 0.0053(4) 0.0052(4) -0.0006(3) 0.0005(3) 0.0013(3) 
O8 0.0064(4) 0.0116(4) 0.0073(4) 0.0027(3) 0.0005(3) 0.0055(3) 
 
_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 
NaX O2 2.478(3) . ? 
NaX O2 2.478(3) 3 ? 
NaX O2 2.478(3) 2 ? 
NaX O5 2.7607(18) . ? 
NaX O5 2.7607(18) 3 ? 
NaX O5 2.7607(18) 2 ? 
NaX O4 2.8195(19) 2 ? 
NaX O4 2.8195(19) 3 ? 
NaX O4 2.8195(19) . ? 
NaX MnY 3.302(3) . ? 
NaX LiY 3.302(3) 2 ? 
MnY O2 1.9836(12) . ? 
MnY O2 1.9836(12) 3 ? 
MnY O1 2.040(2) . ? 
MnY O6 2.0456(11) . ? 
MnY O6 2.0457(11) 6 ? 
MnY O3 2.1545(18) . ? 
MnY LiY 2.9658(9) 3 ? 
MnY MnY 2.9658(9) 3 ? 
MnY MnY 2.9658(9) 2 ? 
MnY LiY 2.9658(9) 2 ? 
MnY AlZ 2.9984(6) . ? 
MnY AlZ 2.9984(6) 6 ? 
AlZ O6 1.8572(11) . ? 
AlZ O7 1.8796(10) 8 ? 
AlZ O8 1.8828(11) 8 ? 
AlZ O8 1.9163(11) . ? 
AlZ O7 1.9573(10) 15 ? 
AlZ O3 1.9732(8) . ? 
AlZ AlZ 2.9378(4) 15_554 ? 
AlZ AlZ 2.9379(4) 8 ? 
B O2 1.355(3) . ? 
B O8 1.3866(15) . ? 
B O8 1.3867(15) 5 ? 
Si O6 1.6082(10) 1_554 ? 
Si O7 1.6145(10) . ? 
Si O4 1.6250(6) . ? 
Si O5 1.6373(7) . ? 
O1 LiY 2.040(2) 3 ? 
O1 MnY 2.040(2) 3 ? 
O1 MnY 2.040(2) 2 ? 
O1 LiY 2.040(2) 2 ? 
O2 LiY 1.9836(12) 2 ? 
O2 MnY 1.9836(12) 2 ? 
O3 AlZ 1.9733(8) 6 ? 
O3 H3 0.79(4) . ? 
O4 Si 1.6250(6) 5 ? 
O5 Si 1.6373(7) 6 ? 
O6 Si 1.6082(10) 1_556 ? 
O7 AlZ 1.8796(10) 15_554 ? 
O7 AlZ 1.9573(10) 8_554 ? 
O8 AlZ 1.8828(11) 15_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 
O2 NaX O2 72.66(10) . 3 ? 
O2 NaX O2 72.66(10) . 2 ? 
O2 NaX O2 72.66(10) 3 2 ? 
O2 NaX O5 86.45(4) . . ? 
O2 NaX O5 86.45(4) 3 . ? 
O2 NaX O5 153.88(11) 2 . ? 
O2 NaX O5 153.88(11) . 3 ? 
O2 NaX O5 86.45(4) 3 3 ? 
O2 NaX O5 86.45(4) 2 3 ? 
O5 NaX O5 108.20(6) . 3 ? 
O2 NaX O5 86.45(4) . 2 ? 
O2 NaX O5 153.88(11) 3 2 ? 
O2 NaX O5 86.45(4) 2 2 ? 
O5 NaX O5 108.20(6) . 2 ? 
O5 NaX O5 108.20(6) 3 2 ? 
O2 NaX O4 127.29(4) . 2 ? 
O2 NaX O4 127.30(4) 3 2 ? 
O2 NaX O4 70.49(5) 2 2 ? 
O5 NaX O4 135.63(11) . 2 ? 
O5 NaX O4 55.23(2) 3 2 ? 
O5 NaX O4 55.23(2) 2 2 ? 
O2 NaX O4 127.30(4) . 3 ? 
O2 NaX O4 70.49(5) 3 3 ? 
O2 NaX O4 127.29(4) 2 3 ? 
O5 NaX O4 55.23(2) . 3 ? 
O5 NaX O4 55.23(2) 3 3 ? 
O5 NaX O4 135.63(11) 2 3 ? 
O4 NaX O4 104.99(7) 2 3 ? 
O2 NaX O4 70.49(5) . . ? 
O2 NaX O4 127.29(4) 3 . ? 
O2 NaX O4 127.29(4) 2 . ? 
O5 NaX O4 55.23(2) . . ? 
O5 NaX O4 135.63(11) 3 . ? 
O5 NaX O4 55.23(2) 2 . ? 
O4 NaX O4 104.99(7) 2 . ? 
O4 NaX O4 104.99(7) 3 . ? 
O2 NaX MnY 36.77(4) . . ? 
O2 NaX MnY 36.77(4) 3 . ? 
O2 NaX MnY 74.40(8) 2 . ? 
O5 NaX MnY 79.48(4) . . ? 
O5 NaX MnY 123.03(6) 3 . ? 
O5 NaX MnY 123.03(6) 2 . ? 
O4 NaX MnY 144.89(8) 2 . ? 
O4 NaX MnY 96.06(4) 3 . ? 
O4 NaX MnY 96.05(4) . . ? 
O2 NaX LiY 36.77(4) . 2 ? 
O2 NaX LiY 74.40(8) 3 2 ? 
O2 NaX LiY 36.77(4) 2 2 ? 
O5 NaX LiY 123.03(6) . 2 ? 
O5 NaX LiY 123.03(6) 3 2 ? 
O5 NaX LiY 79.48(4) 2 2 ? 
O4 NaX LiY 96.05(4) 2 2 ? 
O4 NaX LiY 144.89(8) 3 2 ? 
O4 NaX LiY 96.05(4) . 2 ? 
MnY NaX LiY 53.37(5) . 2 ? 
O2 MnY O2 95.50(10) . 3 ? 
O2 MnY O1 84.97(7) . . ? 
O2 MnY O1 84.97(7) 3 . ? 
O2 MnY O6 88.56(6) . . ? 
O2 MnY O6 175.47(6) 3 . ? 
O1 MnY O6 97.40(7) . . ? 
O2 MnY O6 175.47(6) . 6 ? 
O2 MnY O6 88.56(6) 3 6 ? 
O1 MnY O6 97.41(7) . 6 ? 
O6 MnY O6 87.32(6) . 6 ? 
O2 MnY O3 102.13(5) . . ? 
O2 MnY O3 102.12(5) 3 . ? 
O1 MnY O3 169.29(10) . . ? 
O6 MnY O3 74.99(4) . . ? 
O6 MnY O3 74.99(4) 6 . ? 
O2 MnY LiY 89.58(5) . 3 ? 
O2 MnY LiY 41.62(4) 3 3 ? 
O1 MnY LiY 43.37(6) . 3 ? 
O6 MnY LiY 140.71(3) . 3 ? 
O6 MnY LiY 94.79(3) 6 3 ? 
O3 MnY LiY 143.30(2) . 3 ? 
O2 MnY MnY 89.58(5) . 3 ? 
O2 MnY MnY 41.62(4) 3 3 ? 
O1 MnY MnY 43.37(6) . 3 ? 
O6 MnY MnY 140.71(3) . 3 ? 
O6 MnY MnY 94.79(3) 6 3 ? 
O3 MnY MnY 143.30(2) . 3 ? 
LiY MnY MnY 0.00(4) 3 3 ? 
O2 MnY MnY 41.62(4) . 2 ? 
O2 MnY MnY 89.58(5) 3 2 ? 
O1 MnY MnY 43.37(6) . 2 ? 
O6 MnY MnY 94.79(3) . 2 ? 
O6 MnY MnY 140.71(3) 6 2 ? 
O3 MnY MnY 143.30(2) . 2 ? 
LiY MnY MnY 60.0 3 2 ? 
MnY MnY MnY 60.0 3 2 ? 
O2 MnY LiY 41.62(4) . 2 ? 
O2 MnY LiY 89.58(5) 3 2 ? 
O1 MnY LiY 43.37(6) . 2 ? 
O6 MnY LiY 94.79(3) . 2 ? 
O6 MnY LiY 140.71(3) 6 2 ? 
O3 MnY LiY 143.30(2) . 2 ? 
LiY MnY LiY 60.0 3 2 ? 
MnY MnY LiY 60.0 3 2 ? 
MnY MnY LiY 0.00(2) 2 2 ? 
O2 MnY AlZ 83.78(5) . . ? 
O2 MnY AlZ 140.86(5) 3 . ? 
O1 MnY AlZ 133.60(5) . . ? 
O6 MnY AlZ 37.55(3) . . ? 
O6 MnY AlZ 91.81(4) 6 . ? 
O3 MnY AlZ 41.08(2) . . ? 
LiY MnY AlZ 173.089(10) 3 . ? 
MnY MnY AlZ 173.089(10) 3 . ? 
MnY MnY AlZ 113.304(10) 2 . ? 
LiY MnY AlZ 113.304(10) 2 . ? 
O2 MnY AlZ 140.86(5) . 6 ? 
O2 MnY AlZ 83.78(5) 3 6 ? 
O1 MnY AlZ 133.60(5) . 6 ? 
O6 MnY AlZ 91.81(4) . 6 ? 
O6 MnY AlZ 37.55(3) 6 6 ? 
O3 MnY AlZ 41.08(2) . 6 ? 
LiY MnY AlZ 113.304(10) 3 6 ? 
MnY MnY AlZ 113.304(10) 3 6 ? 
MnY MnY AlZ 173.089(10) 2 6 ? 
LiY MnY AlZ 173.089(10) 2 6 ? 
AlZ MnY AlZ 73.33(2) . 6 ? 
O6 AlZ O7 168.97(5) . 8 ? 
O6 AlZ O8 94.63(5) . 8 ? 
O7 AlZ O8 96.40(5) 8 8 ? 
O6 AlZ O8 90.87(5) . . ? 
O7 AlZ O8 78.24(4) 8 . ? 
O8 AlZ O8 171.25(4) 8 . ? 
O6 AlZ O7 92.66(5) . 15 ? 
O7 AlZ O7 90.27(2) 8 15 ? 
O8 AlZ O7 77.16(4) 8 15 ? 
O8 AlZ O7 95.82(4) . 15 ? 
O6 AlZ O3 83.74(6) . . ? 
O7 AlZ O3 94.80(6) 8 . ? 
O8 AlZ O3 94.95(6) 8 . ? 
O8 AlZ O3 92.41(6) . . ? 
O7 AlZ O3 171.07(5) 15 . ? 
O6 AlZ AlZ 128.70(4) . 15_554 ? 
O7 AlZ AlZ 41.01(3) 8 15_554 ? 
O8 AlZ AlZ 133.95(4) 8 15_554 ? 
O8 AlZ AlZ 38.94(3) . 15_554 ? 
O7 AlZ AlZ 85.07(3) 15 15_554 ? 
O3 AlZ AlZ 103.56(4) . 15_554 ? 
O6 AlZ AlZ 85.86(3) . 8 ? 
O7 AlZ AlZ 102.99(4) 8 8 ? 
O8 AlZ AlZ 39.76(3) 8 8 ? 
O8 AlZ AlZ 134.30(4) . 8 ? 
O7 AlZ AlZ 39.07(3) 15 8 ? 
O3 AlZ AlZ 132.24(5) . 8 ? 
AlZ AlZ AlZ 118.938(19) 15_554 8 ? 
O6 AlZ MnY 42.17(3) . . ? 
O7 AlZ MnY 131.59(4) 8 . ? 
O8 AlZ MnY 111.42(4) 8 . ? 
O8 AlZ MnY 77.17(3) . . ? 
O7 AlZ MnY 133.14(4) 15 . ? 
O3 AlZ MnY 45.85(5) . . ? 
AlZ AlZ MnY 111.702(19) 15_554 . ? 
AlZ AlZ MnY 123.927(17) 8 . ? 
O2 B O8 120.85(9) . . ? 
O2 B O8 120.85(9) . 5 ? 
O8 B O8 118.30(17) . 5 ? 
O6 Si O7 109.99(5) 1_554 . ? 
O6 Si O4 111.75(6) 1_554 . ? 
O7 Si O4 109.84(7) . . ? 
O6 Si O5 110.57(6) 1_554 . ? 
O7 Si O5 109.63(7) . . ? 
O4 Si O5 104.93(7) . . ? 
O6 Si NaX 118.90(6) 1_554 . ? 
O7 Si NaX 131.07(6) . . ? 
O4 Si NaX 53.84(6) . . ? 
O5 Si NaX 51.82(5) . . ? 
MnY O1 LiY 93.27(12) . 3 ? 
MnY O1 MnY 93.27(12) . 3 ? 
LiY O1 MnY 0.00(4) 3 3 ? 
MnY O1 MnY 93.27(12) . 2 ? 
LiY O1 MnY 93.27(12) 3 2 ? 
MnY O1 MnY 93.27(12) 3 2 ? 
MnY O1 LiY 93.27(12) . 2 ? 
LiY O1 LiY 93.27(12) 3 2 ? 
MnY O1 LiY 93.27(12) 3 2 ? 
MnY O1 LiY 0.00(3) 2 2 ? 
B O2 MnY 119.53(8) . . ? 
B O2 LiY 119.53(8) . 2 ? 
MnY O2 LiY 96.76(8) . 2 ? 
B O2 MnY 119.53(8) . 2 ? 
MnY O2 MnY 96.76(8) . 2 ? 
LiY O2 MnY 0.000(6) 2 2 ? 
B O2 NaX 124.84(14) . . ? 
MnY O2 NaX 94.82(7) . . ? 
LiY O2 NaX 94.82(7) 2 . ? 
MnY O2 NaX 94.82(7) 2 . ? 
AlZ O3 AlZ 130.28(9) . 6 ? 
AlZ O3 MnY 93.07(5) . . ? 
AlZ O3 MnY 93.07(5) 6 . ? 
AlZ O3 H3 113.2(4) . . ? 
AlZ O3 H3 113.2(4) 6 . ? 
MnY O3 H3 103(3) . . ? 
Si O4 Si 144.01(10) 5 . ? 
Si O4 NaX 98.42(6) 5 . ? 
Si O4 NaX 98.42(6) . . ? 
Si O5 Si 132.59(9) 6 . ? 
Si O5 NaX 100.39(6) 6 . ? 
Si O5 NaX 100.39(6) . . ? 
Si O6 AlZ 130.77(6) 1_556 . ? 
Si O6 MnY 122.72(6) 1_556 . ? 
AlZ O6 MnY 100.28(5) . . ? 
Si O7 AlZ 130.50(6) . 15_554 ? 
Si O7 AlZ 126.72(6) . 8_554 ? 
AlZ O7 AlZ 99.91(4) 15_554 8_554 ? 
B O8 AlZ 132.79(10) . 15_554 ? 
B O8 AlZ 125.81(10) . . ? 
AlZ O8 AlZ 101.30(5) 15_554 . ? 
 
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              34.99 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    1.188 
_refine_diff_density_min   -0.446 
_refine_diff_density_rms    0.084 
