 
data_n825density 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'H0.14 Al0.92 B3 Cr0.21 F0.08 K0.07 Mg2.22 Na0.88 O30.14 Si5.99 Ti0.06 V5.60' 
_chemical_formula_weight          1085.68 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'B'  'B'   0.0013   0.0007 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0080   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' 
 'V'  'V'   0.2670   0.5300 
 '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' 
 'Mg'  'Mg'   0.0486   0.0363 
 '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' 
 'Ti'  'Ti'   0.2776   0.4457 
 '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' 
 'Cr'  'Cr'   0.3209   0.6236 
 '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' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            exagonal 
_symmetry_space_group_name_H-M    "R 3 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                    16.1908(4) 
_cell_length_b                    16.1908(4) 
_cell_length_c                    7.4143(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 120.00 
_cell_volume                      1683.21(7) 
_cell_formula_units_Z             3 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     7667 
_cell_measurement_theta_min       3 
_cell_measurement_theta_max       41 
 
_exptl_crystal_description        fragment 
_exptl_crystal_colour             green 
_exptl_crystal_size_max           0.12 
_exptl_crystal_size_mid           0.11 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     3.213 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1708 
_exptl_absorpt_coefficient_mu     3.577 
_exptl_absorpt_correction_type    SADABS 
_exptl_absorpt_correction_T_min   0.6735 
_exptl_absorpt_correction_T_max   0.7162 
_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             9144 
_diffrn_reflns_av_R_equivalents   0.0181 
_diffrn_reflns_av_sigmaI/netI     0.0205 
_diffrn_reflns_limit_h_min        -29 
_diffrn_reflns_limit_h_max        29 
_diffrn_reflns_limit_k_min        -29 
_diffrn_reflns_limit_k_max        24 
_diffrn_reflns_limit_l_min        -13 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          2.52 
_diffrn_reflns_theta_max          41.03 
_reflns_number_total              2442 
_reflns_number_gt                 2406 
_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^)+(0.0193P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00022(9) 
_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    0.087(9) 
_refine_ls_number_reflns          2442 
_refine_ls_number_parameters      94 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0144 
_refine_ls_R_factor_gt            0.0140 
_refine_ls_wR_factor_ref          0.0352 
_refine_ls_wR_factor_gt           0.0349 
_refine_ls_goodness_of_fit_ref    1.044 
_refine_ls_restrained_S_all       1.044 
_refine_ls_shift/su_max           0.002 
_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 0.22575(16) 0.0252(3) Uani 1.029(6) 6 d SP . . 
VY V 0.122910(14) 0.061455(7) 0.63907(4) 0.00800(5) Uani 0.9246(17) 2 d SP . . 
VZ V 0.298218(11) 0.261727(12) 0.61043(4) 0.00670(5) Uani 0.569(3) 1 d P . . 
MgZ Mg 0.298218(11) 0.261727(12) 0.61043(4) 0.00670(5) Uani 0.431(3) 1 d P . . 
B B 0.10951(4) 0.21901(9) 0.45484(17) 0.00887(18) Uani 1 2 d S . . 
Si Si 0.189382(15) 0.187781(15) 0.0000 0.00701(5) Uani 1 1 d . . . 
O1 O 0.0000 0.0000 0.76587(19) 0.0091(2) Uani 1 6 d S . . 
O2 O 0.06071(3) 0.12141(6) 0.48914(12) 0.00886(13) Uani 1 2 d S . . 
O3 O 0.25659(6) 0.12830(3) 0.50995(12) 0.01127(14) Uani 1 2 d S . . 
H3 H 0.2643(15) 0.1321(8) 0.386(3) 0.017 Uiso 1 2 d S . . 
O4 O 0.09213(3) 0.18426(7) 0.06973(12) 0.01145(14) Uani 1 2 d S . . 
O5 O 0.18214(7) 0.09107(3) 0.08701(11) 0.01089(14) Uani 1 2 d S . . 
O6 O 0.19183(4) 0.18285(4) 0.78271(9) 0.00902(10) Uani 1 1 d . . . 
O7 O 0.28151(4) 0.28147(4) 0.07441(8) 0.00992(10) Uani 1 1 d . . . 
O8 O 0.20666(4) 0.26751(4) 0.43882(9) 0.01122(10) 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 0.0255(4) 0.0255(4) 0.0244(6) 0.000 0.000 0.0128(2) 
VY 0.00727(8) 0.00670(6) 0.01022(8) -0.00053(3) -0.00105(6) 0.00363(4) 
VZ 0.00589(7) 0.00652(7) 0.00750(6) 0.00047(5) 0.00002(4) 0.00296(5) 
MgZ 0.00589(7) 0.00652(7) 0.00750(6) 0.00047(5) 0.00002(4) 0.00296(5) 
B 0.0074(3) 0.0086(4) 0.0111(4) 0.0015(3) 0.00073(16) 0.0043(2) 
Si 0.00636(9) 0.00590(8) 0.00876(9) -0.00044(6) -0.00026(7) 0.00305(6) 
O1 0.0089(3) 0.0089(3) 0.0095(5) 0.000 0.000 0.00443(16) 
O2 0.0081(2) 0.0066(3) 0.0113(3) 0.0017(2) 0.00086(12) 0.00330(14) 
O3 0.0128(3) 0.0118(3) 0.0095(3) 0.00044(13) 0.0009(3) 0.00641(17) 
O4 0.0089(2) 0.0164(4) 0.0115(3) -0.0011(3) -0.00053(14) 0.00821(19) 
O5 0.0159(4) 0.0085(2) 0.0108(3) 0.00070(13) 0.0014(3) 0.00795(19) 
O6 0.0100(2) 0.0083(2) 0.0085(2) -0.00068(16) -0.00044(17) 0.00439(18) 
O7 0.0082(2) 0.0074(2) 0.0111(2) -0.00144(17) -0.00122(17) 0.00159(17) 
O8 0.0056(2) 0.0098(2) 0.0176(2) 0.00385(19) 0.00099(19) 0.00333(19) 
 
_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 2.5907(12) . ? 
NaX O2 2.5907(12) 3 ? 
NaX O2 2.5907(12) 2 ? 
NaX O5 2.7532(10) 3 ? 
NaX O5 2.7532(10) . ? 
NaX O5 2.7533(10) 2 ? 
NaX O4 2.8307(11) 2 ? 
NaX O4 2.8307(11) . ? 
NaX O4 2.8308(11) 3 ? 
NaX Si 3.4820(6) . ? 
NaX Si 3.4821(6) 4 ? 
NaX Si 3.4821(6) 2 ? 
VY O1 1.9632(7) . ? 
VY O6 2.0123(6) . ? 
VY O6 2.0124(6) 6 ? 
VY O2 2.0421(6) . ? 
VY O2 2.0421(6) 3 ? 
VY O3 2.1048(9) . ? 
VY MgZ 3.0679(2) 6 ? 
VZ O8 1.9632(6) 8 ? 
VZ O7 1.9883(6) 8 ? 
VZ O8 1.9909(6) . ? 
VZ O6 2.0075(6) . ? 
VZ O7 2.0296(6) 15 ? 
VZ O3 2.0543(4) . ? 
VZ MgZ 3.02200(18) 15_554 ? 
VZ MgZ 3.02205(17) 8 ? 
B O8 1.3675(9) . ? 
B O8 1.3675(9) 5 ? 
B O2 1.3920(15) . ? 
Si O7 1.6024(6) . ? 
Si O6 1.6145(6) 1_554 ? 
Si O4 1.6310(4) . ? 
Si O5 1.6426(4) . ? 
O1 VY 1.9632(7) 3 ? 
O1 VY 1.9632(7) 2 ? 
O2 VY 2.0420(6) 2 ? 
O3 MgZ 2.0543(4) 6 ? 
O3 VZ 2.0543(4) 6 ? 
O3 H3 0.93(2) . ? 
O4 Si 1.6310(4) 5 ? 
O5 Si 1.6426(4) 6 ? 
O6 Si 1.6145(7) 1_556 ? 
O7 MgZ 1.9883(6) 15_554 ? 
O7 VZ 1.9883(6) 15_554 ? 
O7 VZ 2.0296(6) 8_554 ? 
O7 MgZ 2.0296(6) 8_554 ? 
O8 MgZ 1.9632(6) 15_554 ? 
O8 VZ 1.9632(6) 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 69.37(4) . 3 ? 
O2 NaX O2 69.37(4) . 2 ? 
O2 NaX O2 69.37(4) 3 2 ? 
O2 NaX O5 153.02(5) . 3 ? 
O2 NaX O5 88.68(2) 3 3 ? 
O2 NaX O5 88.67(2) 2 3 ? 
O2 NaX O5 88.67(2) . . ? 
O2 NaX O5 88.67(2) 3 . ? 
O2 NaX O5 153.02(5) 2 . ? 
O5 NaX O5 106.90(3) 3 . ? 
O2 NaX O5 88.67(2) . 2 ? 
O2 NaX O5 153.02(5) 3 2 ? 
O2 NaX O5 88.67(2) 2 2 ? 
O5 NaX O5 106.89(3) 3 2 ? 
O5 NaX O5 106.90(3) . 2 ? 
O2 NaX O4 127.44(2) . 2 ? 
O2 NaX O4 127.44(2) 3 2 ? 
O2 NaX O4 73.04(3) 2 2 ? 
O5 NaX O4 54.829(11) 3 2 ? 
O5 NaX O4 133.94(5) . 2 ? 
O5 NaX O4 54.834(11) 2 2 ? 
O2 NaX O4 73.04(3) . . ? 
O2 NaX O4 127.44(2) 3 . ? 
O2 NaX O4 127.44(2) 2 . ? 
O5 NaX O4 133.94(5) 3 . ? 
O5 NaX O4 54.832(11) . . ? 
O5 NaX O4 54.832(11) 2 . ? 
O4 NaX O4 104.45(3) 2 . ? 
O2 NaX O4 127.44(2) . 3 ? 
O2 NaX O4 73.04(3) 3 3 ? 
O2 NaX O4 127.44(2) 2 3 ? 
O5 NaX O4 54.834(11) 3 3 ? 
O5 NaX O4 54.832(11) . 3 ? 
O5 NaX O4 133.94(5) 2 3 ? 
O4 NaX O4 104.45(3) 2 3 ? 
O4 NaX O4 104.45(3) . 3 ? 
O2 NaX Si 82.267(17) . . ? 
O2 NaX Si 110.984(9) 3 . ? 
O2 NaX Si 149.71(2) 2 . ? 
O5 NaX Si 121.45(4) 3 . ? 
O5 NaX Si 27.504(9) . . ? 
O5 NaX Si 80.002(18) 2 . ? 
O4 NaX Si 119.97(4) 2 . ? 
O4 NaX Si 27.553(8) . . ? 
O4 NaX Si 78.328(18) 3 . ? 
O2 NaX Si 149.71(2) . 4 ? 
O2 NaX Si 110.983(9) 3 4 ? 
O2 NaX Si 82.267(17) 2 4 ? 
O5 NaX Si 27.502(9) 3 4 ? 
O5 NaX Si 121.45(4) . 4 ? 
O5 NaX Si 80.002(18) 2 4 ? 
O4 NaX Si 27.552(8) 2 4 ? 
O4 NaX Si 119.97(4) . 4 ? 
O4 NaX Si 78.328(18) 3 4 ? 
Si NaX Si 122.53(3) . 4 ? 
O2 NaX Si 110.984(9) . 2 ? 
O2 NaX Si 149.71(2) 3 2 ? 
O2 NaX Si 82.267(17) 2 2 ? 
O5 NaX Si 80.001(18) 3 2 ? 
O5 NaX Si 121.45(4) . 2 ? 
O5 NaX Si 27.504(9) 2 2 ? 
O4 NaX Si 27.555(8) 2 2 ? 
O4 NaX Si 78.327(18) . 2 ? 
O4 NaX Si 119.97(4) 3 2 ? 
Si NaX Si 98.82(2) . 2 ? 
Si NaX Si 52.721(12) 4 2 ? 
O1 VY O6 99.68(3) . . ? 
O1 VY O6 99.68(3) . 6 ? 
O6 VY O6 88.78(3) . 6 ? 
O1 VY O2 83.44(3) . . ? 
O6 VY O2 89.32(3) . . ? 
O6 VY O2 176.58(3) 6 . ? 
O1 VY O2 83.44(3) . 3 ? 
O6 VY O2 176.59(3) . 3 ? 
O6 VY O2 89.32(3) 6 3 ? 
O2 VY O2 92.44(5) . 3 ? 
O1 VY O3 178.44(4) . . ? 
O6 VY O3 79.23(2) . . ? 
O6 VY O3 79.22(2) 6 . ? 
O2 VY O3 97.63(2) . . ? 
O2 VY O3 97.63(2) 3 . ? 
O1 VY MgZ 137.436(18) . 6 ? 
O6 VY MgZ 93.878(18) . 6 ? 
O6 VY MgZ 40.192(18) 6 6 ? 
O2 VY MgZ 137.193(19) . 6 ? 
O2 VY MgZ 82.85(2) 3 6 ? 
O3 VY MgZ 41.837(11) . 6 ? 
O1 VY NaX 89.26(4) . . ? 
O6 VY NaX 134.161(18) . . ? 
O6 VY NaX 134.160(18) 6 . ? 
O2 VY NaX 46.86(2) . . ? 
O2 VY NaX 46.86(2) 3 . ? 
O3 VY NaX 92.30(3) . . ? 
MgZ VY NaX 109.416(9) 6 . ? 
O8 VZ O7 95.43(3) 8 8 ? 
O8 VZ O8 172.97(2) 8 . ? 
O7 VZ O8 79.41(2) 8 . ? 
O8 VZ O6 94.55(3) 8 . ? 
O7 VZ O6 169.80(3) 8 . ? 
O8 VZ O6 90.82(3) . . ? 
O8 VZ O7 79.07(3) 8 15 ? 
O7 VZ O7 91.052(10) 8 15 ? 
O8 VZ O7 96.15(3) . 15 ? 
O6 VZ O7 92.94(3) . 15 ? 
O8 VZ O3 97.80(3) 8 . ? 
O7 VZ O3 95.96(3) 8 . ? 
O8 VZ O3 87.55(3) . . ? 
O6 VZ O3 80.55(3) . . ? 
O7 VZ O3 172.58(3) 15 . ? 
O8 VZ MgZ 133.83(2) 8 15_554 ? 
O7 VZ MgZ 41.741(17) 8 15_554 ? 
O8 VZ MgZ 39.822(18) . 15_554 ? 
O6 VZ MgZ 129.405(19) . 15_554 ? 
O7 VZ MgZ 84.594(18) 15 15_554 ? 
O3 VZ MgZ 102.26(2) . 15_554 ? 
O8 VZ MgZ 40.497(19) 8 8 ? 
O7 VZ MgZ 104.31(2) 8 8 ? 
O8 VZ MgZ 135.97(2) . 8 ? 
O6 VZ MgZ 84.740(18) . 8 ? 
O7 VZ MgZ 40.709(17) 15 8 ? 
O3 VZ MgZ 134.23(2) . 8 ? 
MgZ VZ MgZ 120.213(7) 15_554 8 ? 
O8 B O8 119.37(10) . 5 ? 
O8 B O2 120.32(5) . . ? 
O8 B O2 120.32(5) 5 . ? 
O7 Si O6 110.86(3) . 1_554 ? 
O7 Si O4 110.45(4) . . ? 
O6 Si O4 111.21(4) 1_554 . ? 
O7 Si O5 110.86(4) . . ? 
O6 Si O5 109.67(4) 1_554 . ? 
O4 Si O5 103.57(4) . . ? 
O7 Si NaX 131.12(3) . . ? 
O6 Si NaX 117.98(3) 1_554 . ? 
O4 Si NaX 53.40(3) . . ? 
O5 Si NaX 50.72(3) . . ? 
VY O1 VY 98.97(5) 3 2 ? 
VY O1 VY 98.97(5) 3 . ? 
VY O1 VY 98.97(5) 2 . ? 
B O2 VY 120.28(4) . 2 ? 
B O2 VY 120.28(4) . . ? 
VY O2 VY 93.92(3) 2 . ? 
B O2 NaX 120.55(7) . . ? 
VY O2 NaX 98.04(3) 2 . ? 
VY O2 NaX 98.04(3) . . ? 
VZ O3 MgZ 125.14(4) . 6 ? 
VZ O3 VZ 125.14(4) . 6 ? 
MgZ O3 VZ 0.000(15) 6 6 ? 
VZ O3 VY 95.05(3) . . ? 
MgZ O3 VY 95.05(3) 6 . ? 
VZ O3 VY 95.05(3) 6 . ? 
VZ O3 H3 109.1(5) . . ? 
MgZ O3 H3 109.1(5) 6 . ? 
VZ O3 H3 109.1(5) 6 . ? 
VY O3 H3 123.7(13) . . ? 
Si O4 Si 142.86(6) . 5 ? 
Si O4 NaX 99.04(4) . . ? 
Si O4 NaX 99.04(4) 5 . ? 
Si O5 Si 133.15(5) . 6 ? 
Si O5 NaX 101.78(3) . . ? 
Si O5 NaX 101.78(3) 6 . ? 
Si O6 VZ 129.64(4) 1_556 . ? 
Si O6 VY 124.13(3) 1_556 . ? 
VZ O6 VY 99.49(3) . . ? 
Si O7 MgZ 131.16(4) . 15_554 ? 
Si O7 VZ 131.16(4) . 15_554 ? 
MgZ O7 VZ 0.000(15) 15_554 15_554 ? 
Si O7 VZ 128.71(4) . 8_554 ? 
MgZ O7 VZ 97.54(2) 15_554 8_554 ? 
VZ O7 VZ 97.54(2) 15_554 8_554 ? 
Si O7 MgZ 128.71(4) . 8_554 ? 
MgZ O7 MgZ 97.54(2) 15_554 8_554 ? 
VZ O7 MgZ 97.54(2) 15_554 8_554 ? 
VZ O7 MgZ 0.00(2) 8_554 8_554 ? 
B O8 MgZ 133.97(6) . 15_554 ? 
B O8 VZ 133.97(6) . 15_554 ? 
MgZ O8 VZ 0.000(16) 15_554 15_554 ? 
B O8 VZ 125.96(6) . . ? 
MgZ O8 VZ 99.68(3) 15_554 . ? 
VZ O8 VZ 99.68(3) 15_554 . ? 
 
_diffrn_measured_fraction_theta_max    0.968 
_diffrn_reflns_theta_full              41.03 
_diffrn_measured_fraction_theta_full   0.968 
_refine_diff_density_max    0.741 
_refine_diff_density_min   -0.324 
_refine_diff_density_rms    0.070 
