 
data_shelxl 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Fe0.10 Mg0.90 O3 Si' 
_chemical_formula_weight          103.55 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Mg'  'Mg'   0.0298   0.0220 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Si'  'Si'   0.0522   0.0431 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0056   0.0036 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Fe'  'Fe'   0.2886   0.5448 
 '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+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
 
_cell_length_a                    17.87(2) 
_cell_length_b                    8.526(9) 
_cell_length_c                    4.9485(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  92.88(4) 
_cell_angle_gamma                 90.00 
_cell_volume                      753.2(12) 
_cell_formula_units_Z             16 
_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     3.653 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              822 
_exptl_absorpt_coefficient_mu     0.991 
_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      0.33440 
_diffrn_radiation_type            ? 
_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             530 
_diffrn_reflns_av_R_equivalents   0.0658 
_diffrn_reflns_av_sigmaI/netI     0.0615 
_diffrn_reflns_limit_h_min        -17 
_diffrn_reflns_limit_h_max        19 
_diffrn_reflns_limit_k_min        -7 
_diffrn_reflns_limit_k_max        8 
_diffrn_reflns_limit_l_min        -7 
_diffrn_reflns_limit_l_max        6 
_diffrn_reflns_theta_min          1.55 
_diffrn_reflns_theta_max          15.83 
_reflns_number_total              203 
_reflns_number_gt                 203 
_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 F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.1435P)²+6.0235P] where P=(Fo²+2Fc²)/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      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          203 
_refine_ls_number_parameters      85 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0465 
_refine_ls_R_factor_gt            0.0465 
_refine_ls_wR_factor_ref          0.1266 
_refine_ls_wR_factor_gt           0.1266 
_refine_ls_goodness_of_fit_ref    0.878 
_refine_ls_restrained_S_all       0.878 
_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 
Mg1 Mg 0.3759(4) 0.6574(9) 0.8231(11) 0.009(3) Uiso 0.96(3) 1 d P . . 
Mg2 Mg 0.1254(5) 0.3419(9) 0.3658(12) 0.008(3) Uiso 0.95(3) 1 d P . . 
Mg3 Mg 0.3826(4) 0.4820(11) 0.3282(11) 0.0116(19) Uiso 0.84(3) 1 d P . . 
Mg4 Mg 0.1247(4) 0.5275(8) 0.8672(11) 0.009(2) Uiso 0.88(3) 1 d P . . 
Fe1 Fe 0.3759(4) 0.6574(9) 0.8231(11) 0.009(3) Uiso 0.04(3) 1 d P . . 
Fe2 Fe 0.1254(5) 0.3419(9) 0.3658(12) 0.008(3) Uiso 0.05(3) 1 d P . . 
Fe3 Fe 0.3826(4) 0.4820(11) 0.3282(11) 0.0116(19) Uiso 0.16(3) 1 d P . . 
Fe4 Fe 0.1247(4) 0.5275(8) 0.8672(11) 0.009(2) Uiso 0.12(3) 1 d P . . 
Si1 Si 0.2716(4) 0.3414(9) 0.0258(11) 0.0069(14) Uiso 1 1 d . . . 
Si2 Si 0.2271(4) 0.6572(9) 0.4422(11) 0.0092(14) Uiso 1 1 d . . . 
Si3 Si 0.4721(4) 0.3398(7) 0.8079(10) 0.0084(14) Uiso 1 1 d . . . 
Si4 Si 0.0249(5) 0.6585(7) 0.3125(11) 0.0101(14) Uiso 1 1 d . . . 
O1 O 0.1835(10) 0.3414(17) 0.038(3) 0.006(3) Uiso 1 1 d . . . 
O2 O 0.3157(10) 0.663(2) 0.471(2) 0.004(3) Uiso 1 1 d . . . 
O3 O 0.3112(8) 0.508(3) -0.012(2) 0.005(3) Uiso 1 1 d . . . 
O4 O 0.1871(9) 0.503(2) 0.547(2) 0.014(3) Uiso 1 1 d . . . 
O5 O 0.3046(10) 0.209(2) 0.839(3) 0.010(3) Uiso 1 1 d . . . 
O6 O 0.1968(10) 0.702(2) 0.128(3) 0.014(3) Uiso 1 1 d . . . 
O7 O 0.5637(10) 0.334(2) 0.828(3) 0.010(3) Uiso 1 1 d . . . 
O8 O 0.9370(10) 0.6520(17) 0.308(3) 0.006(3) Uiso 1 1 d . . . 
O9 O 0.4368(9) 0.496(2) 0.678(2) 0.010(3) Uiso 1 1 d . . . 
O10 O 0.0619(8) 0.5152(18) 0.185(2) 0.001(2) Uiso 1 1 d . . . 
O11 O 0.4447(10) 0.1854(19) 0.620(3) 0.010(3) Uiso 1 1 d . . . 
O12 O 0.0534(9) 0.8130(19) 0.131(2) 0.007(3) Uiso 1 1 d . . . 
 
_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 
Mg1 O9 1.920(19) . ? 
Mg1 O3 1.930(19) 1_556 ? 
Mg1 O7 1.988(18) 3_667 ? 
Mg1 O2 2.001(16) . ? 
Mg1 O7 2.019(18) 2_656 ? 
Mg1 O2 2.031(17) 4_576 ? 
Mg1 Mg3 2.877(9) . ? 
Mg1 Fe3 2.910(9) 1_556 ? 
Mg1 Mg3 2.910(9) 1_556 ? 
Mg1 Mg1 2.935(9) 4_576 ? 
Mg1 Fe1 2.935(9) 4_576 ? 
Mg2 O4 1.95(2) . ? 
Mg2 O1 1.969(13) . ? 
Mg2 O8 2.009(12) 3_666 ? 
Mg2 O1 2.040(16) 4_566 ? 
Mg2 O10 2.041(18) . ? 
Mg2 O8 2.123(19) 2_645 ? 
Mg2 Fe2 2.929(8) 4_565 ? 
Mg2 Mg2 2.929(8) 4_565 ? 
Mg2 Fe2 2.929(8) 4_566 ? 
Mg2 Mg2 2.929(8) 4_566 ? 
Mg2 Fe4 2.931(9) 1_554 ? 
Mg2 Mg4 2.931(9) 1_554 ? 
Mg3 O9 1.943(16) . ? 
Mg3 O7 2.014(19) 3_666 ? 
Mg3 O3 2.072(17) . ? 
Mg3 O2 2.096(18) . ? 
Mg3 O11 2.108(17) 4_565 ? 
Mg3 O5 2.145(19) 4_565 ? 
Mg3 Si1 2.704(11) . ? 
Mg3 Mg1 2.910(9) 1_554 ? 
Mg3 Fe1 2.910(9) 1_554 ? 
Mg3 Si3 3.047(10) . ? 
Mg4 O10 1.980(11) 1_556 ? 
Mg4 O4 1.996(12) . ? 
Mg4 O8 2.052(18) 3_666 ? 
Mg4 O1 2.062(16) 1_556 ? 
Mg4 O12 2.165(17) 4_576 ? 
Mg4 O6 2.32(2) 1_556 ? 
Mg4 Mg2 2.931(9) 1_556 ? 
Mg4 Fe2 2.931(9) 1_556 ? 
Mg4 Si2 3.064(8) . ? 
Mg4 Si4 3.112(7) 1_556 ? 
Si1 O1 1.579(19) . ? 
Si1 O5 1.593(18) 1_554 ? 
Si1 O3 1.60(2) . ? 
Si1 O5 1.684(18) 4_565 ? 
Si1 Mg2 3.114(12) 4_565 ? 
Si1 Mg4 3.135(11) 1_554 ? 
Si2 O2 1.583(19) . ? 
Si2 O4 1.598(18) . ? 
Si2 O6 1.619(19) 4_576 ? 
Si2 O6 1.666(18) . ? 
Si2 Mg1 3.175(12) 4_575 ? 
Si2 Mg4 3.263(10) 4_575 ? 
Si3 O9 1.59(2) . ? 
Si3 O7 1.64(2) . ? 
Si3 O11 1.658(12) 4_566 ? 
Si3 O11 1.671(19) . ? 
Si3 Mg3 3.111(11) 3_666 ? 
Si3 Mg3 3.180(13) 4_566 ? 
Si3 Mg1 3.195(11) 3_667 ? 
Si3 Mg1 3.223(9) 2_646 ? 
Si4 O10 1.540(15) . ? 
Si4 O8 1.57(2) 1_455 ? 
Si4 O12 1.649(15) 4_576 ? 
Si4 O12 1.688(14) . ? 
Si4 Mg4 3.112(8) 1_554 ? 
Si4 Mg2 3.190(9) 3_566 ? 
Si4 Mg2 3.193(12) 2 ? 
Si4 Mg4 3.196(12) 3_566 ? 
Si4 Mg4 3.221(10) 4_575 ? 
O1 Fe2 2.040(16) 4_565 ? 
O1 Mg2 2.040(16) 4_565 ? 
O1 Fe4 2.062(16) 1_554 ? 
O1 Mg4 2.062(16) 1_554 ? 
O2 Fe1 2.031(17) 4_575 ? 
O2 Mg1 2.031(17) 4_575 ? 
O3 Fe1 1.930(19) 1_554 ? 
O3 Mg1 1.930(19) 1_554 ? 
O5 Si1 1.593(18) 1_556 ? 
O5 Si1 1.684(18) 4_566 ? 
O5 Fe3 2.145(19) 4_566 ? 
O5 Mg3 2.145(19) 4_566 ? 
O6 Si2 1.619(19) 4_575 ? 
O6 Mg4 2.32(2) 1_554 ? 
O6 Fe4 2.32(2) 1_554 ? 
O7 Fe1 1.988(18) 3_667 ? 
O7 Mg1 1.988(18) 3_667 ? 
O7 Fe3 2.014(19) 3_666 ? 
O7 Mg3 2.014(19) 3_666 ? 
O7 Mg1 2.019(18) 2_646 ? 
O7 Fe1 2.019(18) 2_646 ? 
O8 Si4 1.57(2) 1_655 ? 
O8 Mg2 2.009(12) 3_666 ? 
O8 Fe2 2.009(12) 3_666 ? 
O8 Fe4 2.052(18) 3_666 ? 
O8 Mg4 2.052(18) 3_666 ? 
O8 Mg2 2.123(19) 2_655 ? 
O8 Fe2 2.123(19) 2_655 ? 
O10 Fe4 1.980(11) 1_554 ? 
O10 Mg4 1.980(11) 1_554 ? 
O11 Si3 1.658(12) 4_565 ? 
O11 Mg3 2.108(17) 4_566 ? 
O11 Fe3 2.108(17) 4_566 ? 
O12 Si4 1.649(15) 4_575 ? 
O12 Mg4 2.165(17) 4_575 ? 
O12 Fe4 2.165(17) 4_575 ? 
 
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 
O9 Mg1 O3 92.7(9) . 1_556 ? 
O9 Mg1 O7 93.3(7) . 3_667 ? 
O3 Mg1 O7 88.2(7) 1_556 3_667 ? 
O9 Mg1 O2 88.9(7) . . ? 
O3 Mg1 O2 94.3(7) 1_556 . ? 
O7 Mg1 O2 176.6(8) 3_667 . ? 
O9 Mg1 O7 94.2(8) . 2_656 ? 
O3 Mg1 O7 173.1(9) 1_556 2_656 ? 
O7 Mg1 O7 91.1(8) 3_667 2_656 ? 
O2 Mg1 O7 86.2(7) . 2_656 ? 
O9 Mg1 O2 176.9(8) . 4_576 ? 
O3 Mg1 O2 90.4(7) 1_556 4_576 ? 
O7 Mg1 O2 86.2(7) 3_667 4_576 ? 
O2 Mg1 O2 91.4(7) . 4_576 ? 
O7 Mg1 O2 82.8(9) 2_656 4_576 ? 
O9 Mg1 Mg3 42.2(5) . . ? 
O3 Mg1 Mg3 93.9(5) 1_556 . ? 
O7 Mg1 Mg3 135.5(5) 3_667 . ? 
O2 Mg1 Mg3 46.7(5) . . ? 
O7 Mg1 Mg3 91.5(4) 2_656 . ? 
O2 Mg1 Mg3 138.1(6) 4_576 . ? 
O9 Mg1 Fe3 87.3(5) . 1_556 ? 
O3 Mg1 Fe3 45.3(5) 1_556 1_556 ? 
O7 Mg1 Fe3 43.7(5) 3_667 1_556 ? 
O2 Mg1 Fe3 139.1(5) . 1_556 ? 
O7 Mg1 Fe3 134.7(6) 2_656 1_556 ? 
O2 Mg1 Fe3 94.4(4) 4_576 1_556 ? 
Mg3 Mg1 Fe3 117.5(4) . 1_556 ? 
O9 Mg1 Mg3 87.3(5) . 1_556 ? 
O3 Mg1 Mg3 45.3(5) 1_556 1_556 ? 
O7 Mg1 Mg3 43.7(5) 3_667 1_556 ? 
O2 Mg1 Mg3 139.1(5) . 1_556 ? 
O7 Mg1 Mg3 134.7(6) 2_656 1_556 ? 
O2 Mg1 Mg3 94.4(4) 4_576 1_556 ? 
Mg3 Mg1 Mg3 117.5(4) . 1_556 ? 
Fe3 Mg1 Mg3 0.0(4) 1_556 1_556 ? 
O9 Mg1 Mg1 136.6(6) . 4_576 ? 
O3 Mg1 Mg1 88.5(4) 1_556 4_576 ? 
O7 Mg1 Mg1 43.3(5) 3_667 4_576 ? 
O2 Mg1 Mg1 134.3(5) . 4_576 ? 
O7 Mg1 Mg1 86.3(6) 2_656 4_576 ? 
O2 Mg1 Mg1 42.9(5) 4_576 4_576 ? 
Mg3 Mg1 Mg1 177.4(2) . 4_576 ? 
Fe3 Mg1 Mg1 63.5(2) 1_556 4_576 ? 
Mg3 Mg1 Mg1 63.5(2) 1_556 4_576 ? 
O9 Mg1 Fe1 136.6(6) . 4_576 ? 
O3 Mg1 Fe1 88.5(4) 1_556 4_576 ? 
O7 Mg1 Fe1 43.3(5) 3_667 4_576 ? 
O2 Mg1 Fe1 134.3(5) . 4_576 ? 
O7 Mg1 Fe1 86.3(6) 2_656 4_576 ? 
O2 Mg1 Fe1 42.9(5) 4_576 4_576 ? 
Mg3 Mg1 Fe1 177.4(2) . 4_576 ? 
Fe3 Mg1 Fe1 63.5(2) 1_556 4_576 ? 
Mg3 Mg1 Fe1 63.5(2) 1_556 4_576 ? 
Mg1 Mg1 Fe1 0.0(3) 4_576 4_576 ? 
O4 Mg2 O1 94.0(6) . . ? 
O4 Mg2 O8 86.4(7) . 3_666 ? 
O1 Mg2 O8 177.7(8) . 3_666 ? 
O4 Mg2 O1 94.7(8) . 4_566 ? 
O1 Mg2 O1 93.6(7) . 4_566 ? 
O8 Mg2 O1 88.6(7) 3_666 4_566 ? 
O4 Mg2 O10 89.0(8) . . ? 
O1 Mg2 O10 86.9(7) . . ? 
O8 Mg2 O10 90.8(6) 3_666 . ? 
O1 Mg2 O10 176.3(7) 4_566 . ? 
O4 Mg2 O8 174.9(8) . 2_645 ? 
O1 Mg2 O8 87.3(6) . 2_645 ? 
O8 Mg2 O8 92.5(7) 3_666 2_645 ? 
O1 Mg2 O8 80.3(6) 4_566 2_645 ? 
O10 Mg2 O8 96.1(7) . 2_645 ? 
O4 Mg2 Fe2 137.8(4) . 4_565 ? 
O1 Mg2 Fe2 44.0(5) . 4_565 ? 
O8 Mg2 Fe2 135.8(6) 3_666 4_565 ? 
O1 Mg2 Fe2 85.5(5) 4_566 4_565 ? 
O10 Mg2 Fe2 92.3(4) . 4_565 ? 
O8 Mg2 Fe2 43.3(3) 2_645 4_565 ? 
O4 Mg2 Mg2 137.8(4) . 4_565 ? 
O1 Mg2 Mg2 44.0(5) . 4_565 ? 
O8 Mg2 Mg2 135.8(6) 3_666 4_565 ? 
O1 Mg2 Mg2 85.5(5) 4_566 4_565 ? 
O10 Mg2 Mg2 92.3(4) . 4_565 ? 
O8 Mg2 Mg2 43.3(3) 2_645 4_565 ? 
Fe2 Mg2 Mg2 0.0(3) 4_565 4_565 ? 
O4 Mg2 Fe2 90.7(5) . 4_566 ? 
O1 Mg2 Fe2 135.8(6) . 4_566 ? 
O8 Mg2 Fe2 46.5(5) 3_666 4_566 ? 
O1 Mg2 Fe2 42.1(4) 4_566 4_566 ? 
O10 Mg2 Fe2 137.2(3) . 4_566 ? 
O8 Mg2 Fe2 84.9(5) 2_645 4_566 ? 
Fe2 Mg2 Fe2 115.3(5) 4_565 4_566 ? 
Mg2 Mg2 Fe2 115.3(5) 4_565 4_566 ? 
O4 Mg2 Mg2 90.7(5) . 4_566 ? 
O1 Mg2 Mg2 135.8(6) . 4_566 ? 
O8 Mg2 Mg2 46.5(5) 3_666 4_566 ? 
O1 Mg2 Mg2 42.1(4) 4_566 4_566 ? 
O10 Mg2 Mg2 137.2(3) . 4_566 ? 
O8 Mg2 Mg2 84.9(5) 2_645 4_566 ? 
Fe2 Mg2 Mg2 115.3(5) 4_565 4_566 ? 
Mg2 Mg2 Mg2 115.3(5) 4_565 4_566 ? 
Fe2 Mg2 Mg2 0.0(4) 4_566 4_566 ? 
O4 Mg2 Fe4 89.2(5) . 1_554 ? 
O1 Mg2 Fe4 44.6(5) . 1_554 ? 
O8 Mg2 Fe4 133.1(6) 3_666 1_554 ? 
O1 Mg2 Fe4 138.3(4) 4_566 1_554 ? 
O10 Mg2 Fe4 42.4(3) . 1_554 ? 
O8 Mg2 Fe4 95.2(5) 2_645 1_554 ? 
Fe2 Mg2 Fe4 65.0(2) 4_565 1_554 ? 
Mg2 Mg2 Fe4 65.0(2) 4_565 1_554 ? 
Fe2 Mg2 Fe4 179.6(3) 4_566 1_554 ? 
Mg2 Mg2 Fe4 179.6(3) 4_566 1_554 ? 
O4 Mg2 Mg4 89.2(5) . 1_554 ? 
O1 Mg2 Mg4 44.6(5) . 1_554 ? 
O8 Mg2 Mg4 133.1(6) 3_666 1_554 ? 
O1 Mg2 Mg4 138.3(4) 4_566 1_554 ? 
O10 Mg2 Mg4 42.4(3) . 1_554 ? 
O8 Mg2 Mg4 95.2(5) 2_645 1_554 ? 
Fe2 Mg2 Mg4 65.0(2) 4_565 1_554 ? 
Mg2 Mg2 Mg4 65.0(2) 4_565 1_554 ? 
Fe2 Mg2 Mg4 179.6(3) 4_566 1_554 ? 
Mg2 Mg2 Mg4 179.6(3) 4_566 1_554 ? 
Fe4 Mg2 Mg4 0.0(2) 1_554 1_554 ? 
O9 Mg3 O7 94.0(7) . 3_666 ? 
O9 Mg3 O3 167.4(9) . . ? 
O7 Mg3 O3 83.7(8) 3_666 . ? 
O9 Mg3 O2 85.6(7) . . ? 
O7 Mg3 O2 81.3(8) 3_666 . ? 
O3 Mg3 O2 81.8(7) . . ? 
O9 Mg3 O11 102.9(8) . 4_565 ? 
O7 Mg3 O11 93.8(6) 3_666 4_565 ? 
O3 Mg3 O11 89.6(7) . 4_565 ? 
O2 Mg3 O11 170.5(7) . 4_565 ? 
O9 Mg3 O5 108.6(8) . 4_565 ? 
O7 Mg3 O5 157.3(8) 3_666 4_565 ? 
O3 Mg3 O5 74.1(8) . 4_565 ? 
O2 Mg3 O5 99.7(7) . 4_565 ? 
O11 Mg3 O5 81.7(9) 4_565 4_565 ? 
O9 Mg3 Si1 147.0(6) . . ? 
O7 Mg3 Si1 118.9(6) 3_666 . ? 
O3 Mg3 Si1 36.2(5) . . ? 
O2 Mg3 Si1 95.6(5) . . ? 
O11 Mg3 Si1 79.6(7) 4_565 . ? 
O5 Mg3 Si1 38.5(5) 4_565 . ? 
O9 Mg3 Mg1 41.5(6) . . ? 
O7 Mg3 Mg1 87.9(5) 3_666 . ? 
O3 Mg3 Mg1 125.9(6) . . ? 
O2 Mg3 Mg1 44.1(4) . . ? 
O11 Mg3 Mg1 144.4(7) 4_565 . ? 
O5 Mg3 Mg1 108.6(4) 4_565 . ? 
Si1 Mg3 Mg1 129.9(3) . . ? 
O9 Mg3 Mg1 136.9(6) . 1_554 ? 
O7 Mg3 Mg1 43.0(5) 3_666 1_554 ? 
O3 Mg3 Mg1 41.5(5) . 1_554 ? 
O2 Mg3 Mg1 85.0(5) . 1_554 ? 
O11 Mg3 Mg1 85.9(4) 4_565 1_554 ? 
O5 Mg3 Mg1 114.3(6) 4_565 1_554 ? 
Si1 Mg3 Mg1 75.8(3) . 1_554 ? 
Mg1 Mg3 Mg1 117.5(4) . 1_554 ? 
O9 Mg3 Fe1 136.9(6) . 1_554 ? 
O7 Mg3 Fe1 43.0(5) 3_666 1_554 ? 
O3 Mg3 Fe1 41.5(5) . 1_554 ? 
O2 Mg3 Fe1 85.0(5) . 1_554 ? 
O11 Mg3 Fe1 85.9(4) 4_565 1_554 ? 
O5 Mg3 Fe1 114.3(6) 4_565 1_554 ? 
Si1 Mg3 Fe1 75.8(3) . 1_554 ? 
Mg1 Mg3 Fe1 117.5(4) . 1_554 ? 
Mg1 Mg3 Fe1 0.0(3) 1_554 1_554 ? 
O9 Mg3 Si3 27.3(6) . . ? 
O7 Mg3 Si3 111.6(6) 3_666 . ? 
O3 Mg3 Si3 162.4(7) . . ? 
O2 Mg3 Si3 108.4(4) . . ? 
O11 Mg3 Si3 80.9(6) 4_565 . ? 
O5 Mg3 Si3 89.7(6) 4_565 . ? 
Si1 Mg3 Si3 126.6(4) . . ? 
Mg1 Mg3 Si3 65.6(2) . . ? 
Mg1 Mg3 Si3 150.5(3) 1_554 . ? 
Fe1 Mg3 Si3 150.5(3) 1_554 . ? 
O10 Mg4 O4 170.8(9) 1_556 . ? 
O10 Mg4 O8 89.0(6) 1_556 3_666 ? 
O4 Mg4 O8 84.0(7) . 3_666 ? 
O10 Mg4 O1 86.0(7) 1_556 1_556 ? 
O4 Mg4 O1 87.1(7) . 1_556 ? 
O8 Mg4 O1 81.5(7) 3_666 1_556 ? 
O10 Mg4 O12 97.0(6) 1_556 4_576 ? 
O4 Mg4 O12 88.6(6) . 4_576 ? 
O8 Mg4 O12 87.2(7) 3_666 4_576 ? 
O1 Mg4 O12 168.2(7) 1_556 4_576 ? 
O10 Mg4 O6 85.0(6) 1_556 1_556 ? 
O4 Mg4 O6 101.1(7) . 1_556 ? 
O8 Mg4 O6 170.3(7) 3_666 1_556 ? 
O1 Mg4 O6 90.5(7) 1_556 1_556 ? 
O12 Mg4 O6 101.1(7) 4_576 1_556 ? 
O10 Mg4 Mg2 44.0(5) 1_556 1_556 ? 
O4 Mg4 Mg2 129.2(7) . 1_556 ? 
O8 Mg4 Mg2 86.1(5) 3_666 1_556 ? 
O1 Mg4 Mg2 42.1(4) 1_556 1_556 ? 
O12 Mg4 Mg2 140.5(4) 4_576 1_556 ? 
O6 Mg4 Mg2 84.3(5) 1_556 1_556 ? 
O10 Mg4 Fe2 44.0(5) 1_556 1_556 ? 
O4 Mg4 Fe2 129.2(7) . 1_556 ? 
O8 Mg4 Fe2 86.1(5) 3_666 1_556 ? 
O1 Mg4 Fe2 42.1(4) 1_556 1_556 ? 
O12 Mg4 Fe2 140.5(4) 4_576 1_556 ? 
O6 Mg4 Fe2 84.3(5) 1_556 1_556 ? 
Mg2 Mg4 Fe2 0.0(4) 1_556 1_556 ? 
O10 Mg4 Mg2 131.9(6) 1_556 . ? 
O4 Mg4 Mg2 41.1(6) . . ? 
O8 Mg4 Mg2 43.0(4) 3_666 . ? 
O1 Mg4 Mg2 84.7(4) 1_556 . ? 
O12 Mg4 Mg2 84.8(4) 4_576 . ? 
O6 Mg4 Mg2 142.0(5) 1_556 . ? 
Mg2 Mg4 Mg2 114.8(3) 1_556 . ? 
Fe2 Mg4 Mg2 114.8(3) 1_556 . ? 
O10 Mg4 Si2 161.2(6) 1_556 . ? 
O4 Mg4 Si2 27.8(6) . . ? 
O8 Mg4 Si2 107.8(4) 3_666 . ? 
O1 Mg4 Si2 104.4(4) 1_556 . ? 
O12 Mg4 Si2 76.0(4) 4_576 . ? 
O6 Mg4 Si2 79.3(4) 1_556 . ? 
Mg2 Mg4 Si2 142.7(3) 1_556 . ? 
Fe2 Mg4 Si2 142.7(3) 1_556 . ? 
Mg2 Mg4 Si2 65.6(2) . . ? 
O10 Mg4 Si4 24.3(5) 1_556 1_556 ? 
O4 Mg4 Si4 164.7(7) . 1_556 ? 
O8 Mg4 Si4 104.6(4) 3_666 1_556 ? 
O1 Mg4 Si4 106.5(4) 1_556 1_556 ? 
O12 Mg4 Si4 79.3(4) 4_576 1_556 ? 
O6 Mg4 Si4 72.4(4) 1_556 1_556 ? 
Mg2 Mg4 Si4 64.9(2) 1_556 1_556 ? 
Fe2 Mg4 Si4 64.9(2) 1_556 1_556 ? 
Mg2 Mg4 Si4 144.8(3) . 1_556 ? 
Si2 Mg4 Si4 137.8(3) . 1_556 ? 
O1 Si1 O5 115.0(11) . 1_554 ? 
O1 Si1 O3 116.9(8) . . ? 
O5 Si1 O3 112.4(8) 1_554 . ? 
O1 Si1 O5 105.6(7) . 4_565 ? 
O5 Si1 O5 103.3(7) 1_554 4_565 ? 
O3 Si1 O5 101.4(9) . 4_565 ? 
O1 Si1 Mg3 133.1(6) . . ? 
O5 Si1 Mg3 110.7(7) 1_554 . ? 
O3 Si1 Mg3 49.9(6) . . ? 
O5 Si1 Mg3 52.5(7) 4_565 . ? 
O1 Si1 Mg2 35.3(5) . 4_565 ? 
O5 Si1 Mg2 80.0(8) 1_554 4_565 ? 
O3 Si1 Mg2 141.8(7) . 4_565 ? 
O5 Si1 Mg2 110.9(7) 4_565 4_565 ? 
Mg3 Si1 Mg2 161.1(2) . 4_565 ? 
O1 Si1 Mg4 35.4(5) . 1_554 ? 
O5 Si1 Mg4 122.9(7) 1_554 1_554 ? 
O3 Si1 Mg4 83.8(6) . 1_554 ? 
O5 Si1 Mg4 127.6(6) 4_565 1_554 ? 
Mg3 Si1 Mg4 119.8(3) . 1_554 ? 
Mg2 Si1 Mg4 60.5(2) 4_565 1_554 ? 
O1 Si1 Mg2 29.7(5) . . ? 
O5 Si1 Mg2 130.3(8) 1_554 . ? 
O3 Si1 Mg2 116.2(5) . . ? 
O5 Si1 Mg2 76.9(6) 4_565 . ? 
Mg3 Si1 Mg2 107.8(2) . . ? 
Mg2 Si1 Mg2 55.5(2) 4_565 . ? 
Mg4 Si1 Mg2 55.30(19) 1_554 . ? 
O2 Si2 O4 117.2(9) . . ? 
O2 Si2 O6 106.7(10) . 4_576 ? 
O4 Si2 O6 105.0(9) . 4_576 ? 
O2 Si2 O6 110.8(7) . . ? 
O4 Si2 O6 111.3(10) . . ? 
O6 Si2 O6 104.9(7) 4_576 . ? 
O2 Si2 Mg4 125.3(6) . . ? 
O4 Si2 Mg4 35.6(6) . . ? 
O6 Si2 Mg4 69.4(7) 4_576 . ? 
O6 Si2 Mg4 123.1(7) . . ? 
O2 Si2 Mg1 32.7(7) . 4_575 ? 
O4 Si2 Mg1 149.7(7) . 4_575 ? 
O6 Si2 Mg1 92.6(8) 4_576 4_575 ? 
O6 Si2 Mg1 87.0(7) . 4_575 ? 
Mg4 Si2 Mg1 147.4(3) . 4_575 ? 
O2 Si2 Mg1 31.1(4) . . ? 
O4 Si2 Mg1 100.6(6) . . ? 
O6 Si2 Mg1 87.5(7) 4_576 . ? 
O6 Si2 Mg1 140.9(7) . . ? 
Mg4 Si2 Mg1 96.0(2) . . ? 
Mg1 Si2 Mg1 55.0(2) 4_575 . ? 
O2 Si2 Mg3 33.3(6) . . ? 
O4 Si2 Mg3 94.5(7) . . ? 
O6 Si2 Mg3 139.2(8) 4_576 . ? 
O6 Si2 Mg3 100.7(6) . . ? 
Mg4 Si2 Mg3 120.1(3) . . ? 
Mg1 Si2 Mg3 57.4(2) 4_575 . ? 
Mg1 Si2 Mg3 53.32(19) . . ? 
O2 Si2 Mg2 125.8(7) . . ? 
O4 Si2 Mg2 25.9(5) . . ? 
O6 Si2 Mg2 118.4(7) 4_576 . ? 
O6 Si2 Mg2 85.9(8) . . ? 
Mg4 Si2 Mg2 55.4(2) . . ? 
Mg1 Si2 Mg2 149.0(2) 4_575 . ? 
Mg1 Si2 Mg2 121.0(3) . . ? 
Mg3 Si2 Mg2 94.5(3) . . ? 
O2 Si2 Mg4 122.6(8) . 4_575 ? 
O4 Si2 Mg4 117.3(7) . 4_575 ? 
O6 Si2 Mg4 41.7(6) 4_576 4_575 ? 
O6 Si2 Mg4 63.2(7) . 4_575 ? 
Mg4 Si2 Mg4 91.4(2) . 4_575 ? 
Mg1 Si2 Mg4 92.3(3) 4_575 4_575 ? 
Mg1 Si2 Mg4 121.0(3) . 4_575 ? 
Mg3 Si2 Mg4 147.6(3) . 4_575 ? 
Mg2 Si2 Mg4 111.1(3) . 4_575 ? 
O9 Si3 O7 115.1(8) . . ? 
O9 Si3 O11 110.8(7) . 4_566 ? 
O7 Si3 O11 106.3(10) . 4_566 ? 
O9 Si3 O11 109.4(9) . . ? 
O7 Si3 O11 106.1(9) . . ? 
O11 Si3 O11 108.9(7) 4_566 . ? 
O9 Si3 Mg3 34.0(6) . . ? 
O7 Si3 Mg3 123.0(5) . . ? 
O11 Si3 Mg3 127.5(7) 4_566 . ? 
O11 Si3 Mg3 75.6(6) . . ? 
O9 Si3 Mg3 79.8(6) . 3_666 ? 
O7 Si3 Mg3 35.4(6) . 3_666 ? 
O11 Si3 Mg3 123.7(8) 4_566 3_666 ? 
O11 Si3 Mg3 119.3(5) . 3_666 ? 
Mg3 Si3 Mg3 92.8(2) . 3_666 ? 
O9 Si3 Mg3 122.9(7) . 4_566 ? 
O7 Si3 Mg3 118.4(7) . 4_566 ? 
O11 Si3 Mg3 71.7(7) 4_566 4_566 ? 
O11 Si3 Mg3 37.2(4) . 4_566 ? 
Mg3 Si3 Mg3 97.0(3) . 4_566 ? 
Mg3 Si3 Mg3 148.7(3) 3_666 4_566 ? 
O9 Si3 Mg1 122.2(7) . 3_667 ? 
O7 Si3 Mg1 31.3(5) . 3_667 ? 
O11 Si3 Mg1 75.6(7) 4_566 3_667 ? 
O11 Si3 Mg1 122.8(7) . 3_667 ? 
Mg3 Si3 Mg1 147.2(3) . 3_667 ? 
Mg3 Si3 Mg1 54.9(2) 3_666 3_667 ? 
Mg3 Si3 Mg1 113.8(3) 4_566 3_667 ? 
O9 Si3 Mg1 26.4(4) . . ? 
O7 Si3 Mg1 124.0(7) . . ? 
O11 Si3 Mg1 84.5(6) 4_566 . ? 
O11 Si3 Mg1 122.3(7) . . ? 
Mg3 Si3 Mg1 54.7(2) . . ? 
Mg3 Si3 Mg1 92.7(3) 3_666 . ? 
Mg3 Si3 Mg1 117.1(3) 4_566 . ? 
Mg1 Si3 Mg1 114.9(3) 3_667 . ? 
O9 Si3 Mg1 129.9(5) . 2_646 ? 
O7 Si3 Mg1 31.5(7) . 2_646 ? 
O11 Si3 Mg1 114.6(7) 4_566 2_646 ? 
O11 Si3 Mg1 74.6(6) . 2_646 ? 
Mg3 Si3 Mg1 116.7(2) . 2_646 ? 
Mg3 Si3 Mg1 58.1(3) 3_666 2_646 ? 
Mg3 Si3 Mg1 91.2(2) 4_566 2_646 ? 
Mg1 Si3 Mg1 54.4(2) 3_667 2_646 ? 
Mg1 Si3 Mg1 150.4(3) . 2_646 ? 
O10 Si4 O8 114.6(9) . 1_455 ? 
O10 Si4 O12 112.9(10) . 4_576 ? 
O8 Si4 O12 106.3(7) 1_455 4_576 ? 
O10 Si4 O12 104.7(7) . . ? 
O8 Si4 O12 110.4(9) 1_455 . ? 
O12 Si4 O12 107.8(7) 4_576 . ? 
O10 Si4 Mg4 31.9(5) . 1_554 ? 
O8 Si4 Mg4 125.8(6) 1_455 1_554 ? 
O12 Si4 Mg4 124.6(7) 4_576 1_554 ? 
O12 Si4 Mg4 72.7(5) . 1_554 ? 
O10 Si4 Mg2 126.4(6) . 3_566 ? 
O8 Si4 Mg2 30.8(5) 1_455 3_566 ? 
O12 Si4 Mg2 75.6(5) 4_576 3_566 ? 
O12 Si4 Mg2 123.5(6) . 3_566 ? 
Mg4 Si4 Mg2 151.7(3) 1_554 3_566 ? 
O10 Si4 Mg2 130.4(7) . 2 ? 
O8 Si4 Mg2 35.6(6) 1_455 2 ? 
O12 Si4 Mg2 114.0(6) 4_576 2 ? 
O12 Si4 Mg2 75.1(6) . 2 ? 
Mg4 Si4 Mg2 119.0(3) 1_554 2 ? 
Mg2 Si4 Mg2 54.62(18) 3_566 2 ? 
O10 Si4 Mg4 82.1(6) . 3_566 ? 
O8 Si4 Mg4 32.5(5) 1_455 3_566 ? 
O12 Si4 Mg4 123.6(6) 4_576 3_566 ? 
O12 Si4 Mg4 120.7(7) . 3_566 ? 
Mg4 Si4 Mg4 97.2(2) 1_554 3_566 ? 
Mg2 Si4 Mg4 54.9(2) 3_566 3_566 ? 
Mg2 Si4 Mg4 59.1(2) 2 3_566 ? 
O10 Si4 Mg4 116.5(6) . 4_575 ? 
O8 Si4 Mg4 125.5(6) 1_455 4_575 ? 
O12 Si4 Mg4 69.7(6) 4_576 4_575 ? 
O12 Si4 Mg4 38.3(6) . 4_575 ? 
Mg4 Si4 Mg4 91.3(2) 1_554 4_575 ? 
Mg2 Si4 Mg4 115.8(3) 3_566 4_575 ? 
Mg2 Si4 Mg4 94.1(3) 2 4_575 ? 
Mg4 Si4 Mg4 152.6(3) 3_566 4_575 ? 
O10 Si4 Mg2 29.0(6) . . ? 
O8 Si4 Mg2 121.4(6) 1_455 . ? 
O12 Si4 Mg2 84.3(7) 4_576 . ? 
O12 Si4 Mg2 120.7(6) . . ? 
Mg4 Si4 Mg2 54.8(2) 1_554 . ? 
Mg2 Si4 Mg2 115.8(2) 3_566 . ? 
Mg2 Si4 Mg2 152.1(3) 2 . ? 
Mg4 Si4 Mg2 93.5(3) 3_566 . ? 
Mg4 Si4 Mg2 112.5(3) 4_575 . ? 
Si1 O1 Mg2 126.9(10) . . ? 
Si1 O1 Fe2 118.2(8) . 4_565 ? 
Mg2 O1 Fe2 93.8(6) . 4_565 ? 
Si1 O1 Mg2 118.2(8) . 4_565 ? 
Mg2 O1 Mg2 93.8(6) . 4_565 ? 
Fe2 O1 Mg2 0.0(6) 4_565 4_565 ? 
Si1 O1 Fe4 118.2(8) . 1_554 ? 
Mg2 O1 Fe4 93.2(7) . 1_554 ? 
Fe2 O1 Fe4 100.3(8) 4_565 1_554 ? 
Mg2 O1 Fe4 100.3(8) 4_565 1_554 ? 
Si1 O1 Mg4 118.2(8) . 1_554 ? 
Mg2 O1 Mg4 93.2(7) . 1_554 ? 
Fe2 O1 Mg4 100.3(8) 4_565 1_554 ? 
Mg2 O1 Mg4 100.3(8) 4_565 1_554 ? 
Fe4 O1 Mg4 0.0(4) 1_554 1_554 ? 
Si2 O2 Mg1 124.8(6) . . ? 
Si2 O2 Fe1 122.4(11) . 4_575 ? 
Mg1 O2 Fe1 93.4(7) . 4_575 ? 
Si2 O2 Mg1 122.4(11) . 4_575 ? 
Mg1 O2 Mg1 93.4(7) . 4_575 ? 
Fe1 O2 Mg1 0.0(4) 4_575 4_575 ? 
Si2 O2 Mg3 122.2(10) . . ? 
Mg1 O2 Mg3 89.2(7) . . ? 
Fe1 O2 Mg3 96.4(6) 4_575 . ? 
Mg1 O2 Mg3 96.4(6) 4_575 . ? 
Si1 O3 Fe1 156.0(9) . 1_554 ? 
Si1 O3 Mg1 156.0(9) . 1_554 ? 
Fe1 O3 Mg1 0.0(5) 1_554 1_554 ? 
Si1 O3 Mg3 93.9(9) . . ? 
Fe1 O3 Mg3 93.2(7) 1_554 . ? 
Mg1 O3 Mg3 93.2(7) 1_554 . ? 
Si2 O4 Mg2 133.1(8) . . ? 
Si2 O4 Mg4 116.5(11) . . ? 
Mg2 O4 Mg4 96.5(7) . . ? 
Si1 O5 Si1 126.3(12) 1_556 4_566 ? 
Si1 O5 Fe3 144.3(10) 1_556 4_566 ? 
Si1 O5 Fe3 89.0(8) 4_566 4_566 ? 
Si1 O5 Mg3 144.3(10) 1_556 4_566 ? 
Si1 O5 Mg3 89.0(8) 4_566 4_566 ? 
Fe3 O5 Mg3 0.0(4) 4_566 4_566 ? 
Si2 O6 Si2 126.7(13) 4_575 . ? 
Si2 O6 Mg4 110.6(8) 4_575 1_554 ? 
Si2 O6 Mg4 121.1(10) . 1_554 ? 
Si2 O6 Fe4 110.6(8) 4_575 1_554 ? 
Si2 O6 Fe4 121.1(10) . 1_554 ? 
Mg4 O6 Fe4 0.0(3) 1_554 1_554 ? 
Si3 O7 Fe1 123.4(7) . 3_667 ? 
Si3 O7 Mg1 123.4(7) . 3_667 ? 
Fe1 O7 Mg1 0.0(5) 3_667 3_667 ? 
Si3 O7 Fe3 116.6(10) . 3_666 ? 
Fe1 O7 Fe3 93.3(8) 3_667 3_666 ? 
Mg1 O7 Fe3 93.3(8) 3_667 3_666 ? 
Si3 O7 Mg3 116.6(10) . 3_666 ? 
Fe1 O7 Mg3 93.3(8) 3_667 3_666 ? 
Mg1 O7 Mg3 93.3(8) 3_667 3_666 ? 
Fe3 O7 Mg3 0.0(4) 3_666 3_666 ? 
Si3 O7 Mg1 123.4(12) . 2_646 ? 
Fe1 O7 Mg1 94.2(8) 3_667 2_646 ? 
Mg1 O7 Mg1 94.2(8) 3_667 2_646 ? 
Fe3 O7 Mg1 99.4(7) 3_666 2_646 ? 
Mg3 O7 Mg1 99.4(7) 3_666 2_646 ? 
Si3 O7 Fe1 123.4(12) . 2_646 ? 
Fe1 O7 Fe1 94.2(8) 3_667 2_646 ? 
Mg1 O7 Fe1 94.2(8) 3_667 2_646 ? 
Fe3 O7 Fe1 99.4(7) 3_666 2_646 ? 
Mg3 O7 Fe1 99.4(7) 3_666 2_646 ? 
Mg1 O7 Fe1 0.0(4) 2_646 2_646 ? 
Si4 O8 Mg2 125.6(10) 1_655 3_666 ? 
Si4 O8 Fe2 125.6(10) 1_655 3_666 ? 
Mg2 O8 Fe2 0.0(4) 3_666 3_666 ? 
Si4 O8 Fe4 123.2(8) 1_655 3_666 ? 
Mg2 O8 Fe4 92.9(7) 3_666 3_666 ? 
Fe2 O8 Fe4 92.9(7) 3_666 3_666 ? 
Si4 O8 Mg4 123.2(8) 1_655 3_666 ? 
Mg2 O8 Mg4 92.9(7) 3_666 3_666 ? 
Fe2 O8 Mg4 92.9(7) 3_666 3_666 ? 
Fe4 O8 Mg4 0.0(4) 3_666 3_666 ? 
Si4 O8 Mg2 118.9(8) 1_655 2_655 ? 
Mg2 O8 Mg2 90.2(6) 3_666 2_655 ? 
Fe2 O8 Mg2 90.2(6) 3_666 2_655 ? 
Fe4 O8 Mg2 97.9(8) 3_666 2_655 ? 
Mg4 O8 Mg2 97.9(8) 3_666 2_655 ? 
Si4 O8 Fe2 118.9(8) 1_655 2_655 ? 
Mg2 O8 Fe2 90.2(6) 3_666 2_655 ? 
Fe2 O8 Fe2 90.2(6) 3_666 2_655 ? 
Fe4 O8 Fe2 97.9(8) 3_666 2_655 ? 
Mg4 O8 Fe2 97.9(8) 3_666 2_655 ? 
Mg2 O8 Fe2 0.0(4) 2_655 2_655 ? 
Si3 O9 Mg1 131.9(7) . . ? 
Si3 O9 Mg3 118.7(10) . . ? 
Mg1 O9 Mg3 96.3(9) . . ? 
Si4 O10 Fe4 123.7(9) . 1_554 ? 
Si4 O10 Mg4 123.7(9) . 1_554 ? 
Fe4 O10 Mg4 0.0(5) 1_554 1_554 ? 
Si4 O10 Mg2 129.5(8) . . ? 
Fe4 O10 Mg2 93.6(6) 1_554 . ? 
Mg4 O10 Mg2 93.6(6) 1_554 . ? 
Si3 O11 Si3 121.9(9) 4_565 . ? 
Si3 O11 Mg3 123.7(9) 4_565 4_566 ? 
Si3 O11 Mg3 114.1(6) . 4_566 ? 
Si3 O11 Fe3 123.7(9) 4_565 4_566 ? 
Si3 O11 Fe3 114.1(6) . 4_566 ? 
Mg3 O11 Fe3 0.0(5) 4_566 4_566 ? 
Si4 O12 Si4 122.4(11) 4_575 . ? 
Si4 O12 Mg4 124.7(9) 4_575 4_575 ? 
Si4 O12 Mg4 112.8(7) . 4_575 ? 
Si4 O12 Fe4 124.7(9) 4_575 4_575 ? 
Si4 O12 Fe4 112.8(7) . 4_575 ? 
Mg4 O12 Fe4 0.0(4) 4_575 4_575 ? 
 
_diffrn_measured_fraction_theta_max    0.060 
_diffrn_reflns_theta_full              15.83 
_diffrn_measured_fraction_theta_full   0.060 
_refine_diff_density_max    0.380 
_refine_diff_density_min   -0.351 
_refine_diff_density_rms    0.090 
