#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/31/2213151.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2213151
loop_
_publ_author_name
'Burt, Jason B.'
'Downs, Robert T.'
'Costin, Gelu'
_publ_section_title
;
 Single-crystal X-ray refinement of wilkinsonite,
 Na₂Fe₄²⁺Fe₂³⁺Si₆O₂₀
;
_journal_coeditor_code           BR2035
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i122
_journal_page_last               i124
_journal_paper_doi               10.1107/S1600536807015048
_journal_volume                  63
_journal_year                    2007
_chemical_formula_structural     'Na2 Fe6 Si6 O20'
_chemical_formula_sum            'Fe6 Na2 O20 Si6'
_chemical_formula_weight         869.62
_chemical_name_common            wilkinsonite
_chemical_name_systematic
;
disodium hexairon(II,III) hexasilicon icosaoxide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                105.048(3)
_cell_angle_beta                 96.461(3)
_cell_angle_gamma                125.302(2)
_cell_formula_units_Z            2
_cell_length_a                   10.3355(5)
_cell_length_b                   10.7847(4)
_cell_length_c                   8.9142(4)
_cell_measurement_reflns_used    1568
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.27
_cell_measurement_theta_min      2.51
_cell_volume                     738.37(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'XTALDRAW (Downs & Hall-Wallace, 2003)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            16331
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.18
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.415
_exptl_absorpt_correction_T_max  0.774
_exptl_absorpt_correction_T_min  0.733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2005)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.911
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.092
_refine_diff_density_min         -0.893
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         4312
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0857
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0325P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                2812
_reflns_number_total             4312
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            br2035.cif
_cod_data_source_block           I
_cod_database_code               2213151
_cod_database_fobs_code          2213151
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Fe Fe1 0.0000 0.0000 0.5000 0.0089(2) Uani d S 1
Fe Fe2 0.0000 0.5000 0.0000 0.0079(2) Uani d S 1
Fe Fe3 0.31905(9) 0.85202(8) 0.17897(9) 0.00742(16) Uani d . 1
Fe Fe4 0.76728(9) 0.82004(8) 0.15109(9) 0.00742(16) Uani d . 1
Fe Fe5 0.09363(9) 0.93553(9) 0.05864(9) 0.01104(17) Uani d . 1
Fe Fe6 0.59487(9) 0.94132(8) 0.06557(9) 0.00708(15) Uani d . 1
Fe Fe7 0.99381(9) 0.73633(9) 0.26446(9) 0.00706(15) Uani d . 1
Si Si1 0.47856(16) 1.23504(16) 0.33068(16) 0.0058(3) Uani d . 1
Si Si2 0.98595(16) 1.23337(16) 0.34225(16) 0.0049(3) Uani d . 1
Si Si3 0.79150(16) 0.33856(16) 0.24104(16) 0.0051(3) Uani d . 1
Si Si4 0.72159(16) 0.66157(16) 0.77590(16) 0.0056(3) Uani d . 1
Si Si5 0.64857(16) 0.94629(16) 0.44736(16) 0.0061(3) Uani d . 1
Si Si6 0.35235(16) 0.55640(15) 0.04592(16) 0.0054(3) Uani d . 1
Na Na1 0.2104(2) 0.6312(2) 0.3883(2) 0.0131(4) Uani d . 1
Na Na2 0.6611(2) 0.6128(2) 0.3724(3) 0.0156(5) Uani d . 1
O O1 0.3582(4) 1.0689(4) 0.1649(4) 0.0079(7) Uani d . 1
O O2 0.8609(4) 1.0677(4) 0.1751(4) 0.0080(7) Uani d . 1
O O3 0.5558(4) 0.9532(4) 0.2956(4) 0.0079(7) Uani d . 1
O O4 0.0149(4) 0.9335(4) 0.2748(4) 0.0076(7) Uani d . 1
O O5 0.2403(4) 0.8763(4) 0.3957(4) 0.0095(7) Uani d . 1
O O6 0.7549(4) 0.8835(4) 0.3948(4) 0.0075(7) Uani d . 1
O O7 0.5073(4) 0.8026(4) 0.5056(4) 0.0081(7) Uani d . 1
O O8 0.9578(4) 0.7845(4) 0.4926(4) 0.0066(7) Uani d . 1
O O9 0.8992(4) 0.3213(4) 0.3738(4) 0.0074(7) Uani d . 1
O O10 0.5932(4) 0.6608(4) 0.6478(4) 0.0069(7) Uani d . 1
O O11 0.3356(4) 0.8275(4) 0.9256(4) 0.0078(7) Uani d . 1
O O12 0.8431(4) 0.8318(4) 0.9360(4) 0.0079(7) Uani d . 1
O O13 0.5255(4) 0.7119(4) 0.0394(4) 0.0086(7) Uani d . 1
O O14 0.0666(4) 0.7273(4) 0.0687(4) 0.0081(7) Uani d . 1
O O15 0.2405(4) 0.6058(4) 0.1112(4) 0.0072(7) Uani d . 1
O O16 0.7482(4) 0.6020(4) 0.1286(4) 0.0075(7) Uani d . 1
O O17 0.5995(4) 0.5003(4) 0.8143(4) 0.0079(7) Uani d . 1
O O18 0.9345(4) 0.5053(4) 0.2194(4) 0.0094(7) Uani d . 1
O O19 0.8336(4) 0.6335(4) 0.6807(4) 0.0076(7) Uani d . 1
O O20 0.6736(4) 0.3634(4) 0.3361(4) 0.0081(7) Uani d . 1
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O4 Fe1 O4 2_566 1_545 180.0
O4 Fe1 O6 2_566 1_445 91.01(13)
O4 Fe1 O6 1_545 1_445 88.99(13)
O4 Fe1 O6 2_566 2_666 88.99(13)
O4 Fe1 O6 1_545 2_666 91.01(13)
O6 Fe1 O6 1_445 2_666 180.0000(10)
O4 Fe1 O8 2_566 1_445 95.99(13)
O4 Fe1 O8 1_545 1_445 84.01(13)
O6 Fe1 O8 1_445 1_445 93.89(12)
O6 Fe1 O8 2_666 1_445 86.11(12)
O4 Fe1 O8 2_566 2_666 84.01(13)
O4 Fe1 O8 1_545 2_666 95.99(13)
O6 Fe1 O8 1_445 2_666 86.11(12)
O6 Fe1 O8 2_666 2_666 93.89(12)
O8 Fe1 O8 1_445 2_666 180.0000(10)
O4 Fe1 Na2 2_566 1_445 94.36(10)
O4 Fe1 Na2 1_545 1_445 85.64(10)
O6 Fe1 Na2 1_445 1_445 47.58(10)
O6 Fe1 Na2 2_666 1_445 132.42(10)
O8 Fe1 Na2 1_445 1_445 46.32(9)
O8 Fe1 Na2 2_666 1_445 133.68(9)
O4 Fe1 Na2 2_566 2_666 85.64(10)
O4 Fe1 Na2 1_545 2_666 94.36(10)
O6 Fe1 Na2 1_445 2_666 132.42(10)
O6 Fe1 Na2 2_666 2_666 47.58(10)
O8 Fe1 Na2 1_445 2_666 133.68(9)
O8 Fe1 Na2 2_666 2_666 46.32(9)
Na2 Fe1 Na2 1_445 2_666 180.00(8)
O14 Fe2 O14 2_565 . 180.00(8)
O14 Fe2 O15 2_565 . 91.13(13)
O14 Fe2 O15 . . 88.87(13)
O14 Fe2 O15 2_565 2_565 88.87(13)
O14 Fe2 O15 . 2_565 91.13(13)
O15 Fe2 O15 . 2_565 180.00(12)
O14 Fe2 O18 2_565 2_665 84.00(13)
O14 Fe2 O18 . 2_665 96.00(13)
O15 Fe2 O18 . 2_665 84.93(13)
O15 Fe2 O18 2_565 2_665 95.07(13)
O14 Fe2 O18 2_565 1_455 96.00(13)
O14 Fe2 O18 . 1_455 84.00(13)
O15 Fe2 O18 . 1_455 95.07(13)
O15 Fe2 O18 2_565 1_455 84.93(13)
O18 Fe2 O18 2_665 1_455 180.0000(10)
O14 Fe2 Na1 2_565 . 95.16(10)
O14 Fe2 Na1 . . 84.84(10)
O15 Fe2 Na1 . . 48.72(10)
O15 Fe2 Na1 2_565 . 131.28(10)
O18 Fe2 Na1 2_665 . 133.64(9)
O18 Fe2 Na1 1_455 . 46.36(9)
O14 Fe2 Na1 2_565 2_565 84.84(10)
O14 Fe2 Na1 . 2_565 95.16(10)
O15 Fe2 Na1 . 2_565 131.28(10)
O15 Fe2 Na1 2_565 2_565 48.72(10)
O18 Fe2 Na1 2_665 2_565 46.36(9)
O18 Fe2 Na1 1_455 2_565 133.64(9)
Na1 Fe2 Na1 . 2_565 180.0
O3 Fe3 O14 . . 173.55(12)
O3 Fe3 O15 . . 91.26(13)
O14 Fe3 O15 . . 83.64(13)
O3 Fe3 O1 . . 100.06(13)
O14 Fe3 O1 . . 85.86(12)
O15 Fe3 O1 . . 161.92(13)
O3 Fe3 O5 . . 97.96(13)
O14 Fe3 O5 . . 79.14(13)
O15 Fe3 O5 . . 100.16(12)
O1 Fe3 O5 . . 92.24(12)
O3 Fe3 O11 . 1_554 98.19(13)
O14 Fe3 O11 . 1_554 85.50(12)
O15 Fe3 O11 . 1_554 86.77(12)
O1 Fe3 O11 . 1_554 77.76(12)
O5 Fe3 O11 . 1_554 162.26(13)
O3 Fe3 Fe6 . . 48.24(9)
O14 Fe3 Fe6 . . 135.22(10)
O15 Fe3 Fe6 . . 88.87(9)
O1 Fe3 Fe6 . . 88.27(9)
O5 Fe3 Fe6 . . 145.51(10)
O11 Fe3 Fe6 1_554 . 49.95(8)
O3 Fe3 Na1 . . 86.38(9)
O14 Fe3 Na1 . . 87.35(9)
O15 Fe3 Na1 . . 51.37(9)
O1 Fe3 Na1 . . 142.72(10)
O5 Fe3 Na1 . . 50.49(9)
O11 Fe3 Na1 1_554 . 138.08(9)
Fe6 Fe3 Na1 . . 121.05(5)
O13 Fe4 O4 . 1_655 177.80(13)
O13 Fe4 O6 . . 94.09(13)
O4 Fe4 O6 1_655 . 83.71(13)
O13 Fe4 O12 . 1_554 96.40(13)
O4 Fe4 O12 1_655 1_554 85.74(12)
O6 Fe4 O12 . 1_554 163.24(12)
O13 Fe4 O2 . . 94.08(13)
O4 Fe4 O2 1_655 . 85.80(12)
O6 Fe4 O2 . . 87.47(12)
O12 Fe4 O2 1_554 . 78.79(12)
O13 Fe4 O16 . . 100.95(12)
O4 Fe4 O16 1_655 . 79.48(13)
O6 Fe4 O16 . . 98.66(12)
O12 Fe4 O16 1_554 . 92.14(12)
O2 Fe4 O16 . . 163.27(12)
O13 Fe4 Fe6 . . 45.79(9)
O4 Fe4 Fe6 1_655 . 133.93(9)
O6 Fe4 Fe6 . . 89.15(9)
O12 Fe4 Fe6 1_554 . 88.84(9)
O2 Fe4 Fe6 . . 48.36(9)
O16 Fe4 Fe6 . . 146.51(9)
O13 Fe4 Na2 . . 91.19(9)
O4 Fe4 Na2 1_655 . 87.43(9)
O6 Fe4 Na2 . . 49.93(9)
O12 Fe4 Na2 1_554 . 142.48(10)
O2 Fe4 Na2 . . 137.36(10)
O16 Fe4 Na2 . . 50.34(9)
Fe6 Fe4 Na2 . . 121.25(5)
O14 Fe5 O12 . 1_454 103.06(13)
O14 Fe5 O1 . . 85.06(12)
O12 Fe5 O1 1_454 . 170.73(12)
O14 Fe5 O4 . . 82.77(12)
O12 Fe5 O4 1_454 . 84.02(13)
O1 Fe5 O4 . . 101.64(12)
O14 Fe5 O12 . 2_676 172.43(13)
O12 Fe5 O12 1_454 2_676 84.50(12)
O1 Fe5 O12 . 2_676 87.38(12)
O4 Fe5 O12 . 2_676 98.48(13)
O14 Fe5 O2 . 2_675 101.44(13)
O12 Fe5 O2 1_454 2_675 87.69(12)
O1 Fe5 O2 . 2_675 86.29(12)
O4 Fe5 O2 . 2_675 171.39(13)
O12 Fe5 O2 2_676 2_675 78.36(12)
O13 Fe6 O3 . . 84.13(13)
O13 Fe6 O11 . 2_676 175.93(13)
O3 Fe6 O11 . 2_676 99.84(13)
O13 Fe6 O1 . 2_675 95.48(13)
O3 Fe6 O1 . 2_675 178.24(13)
O11 Fe6 O1 2_676 2_675 80.57(12)
O13 Fe6 O2 . . 92.72(13)
O3 Fe6 O2 . . 92.07(12)
O11 Fe6 O2 2_676 . 88.03(12)
O1 Fe6 O2 2_675 . 86.23(12)
O13 Fe6 O11 . 1_554 91.71(13)
O3 Fe6 O11 . 1_554 95.70(12)
O11 Fe6 O11 2_676 1_554 87.05(12)
O1 Fe6 O11 2_675 1_554 86.02(12)
O2 Fe6 O11 . 1_554 171.41(12)
O13 Fe6 Fe3 . . 86.95(9)
O3 Fe6 Fe3 . . 44.80(9)
O11 Fe6 Fe3 2_676 . 95.25(9)
O1 Fe6 Fe3 2_675 . 136.92(10)
O2 Fe6 Fe3 . . 136.72(9)
O11 Fe6 Fe3 1_554 . 50.90(8)
O13 Fe6 Fe4 . . 44.17(9)
O3 Fe6 Fe4 . . 85.00(9)
O11 Fe6 Fe4 2_676 . 136.63(9)
O1 Fe6 Fe4 2_675 . 93.52(9)
O2 Fe6 Fe4 . . 48.62(8)
O11 Fe6 Fe4 1_554 . 135.71(9)
Fe3 Fe6 Fe4 . . 116.28(3)
O14 Fe7 O4 1_655 1_655 91.69(13)
O14 Fe7 O5 1_655 1_655 85.29(14)
O4 Fe7 O5 1_655 1_655 92.66(13)
O14 Fe7 O16 1_655 . 93.58(13)
O4 Fe7 O16 1_655 . 85.50(14)
O5 Fe7 O16 1_655 . 177.81(13)
O14 Fe7 O8 1_655 . 170.29(13)
O4 Fe7 O8 1_655 . 84.17(13)
O5 Fe7 O8 1_655 . 86.13(13)
O16 Fe7 O8 . . 94.85(13)
O14 Fe7 O18 1_655 . 85.77(13)
O4 Fe7 O18 1_655 . 170.29(14)
O5 Fe7 O18 1_655 . 96.47(13)
O16 Fe7 O18 . . 85.31(13)
O8 Fe7 O18 . . 99.72(12)
O14 Fe7 Na1 1_655 1_655 86.91(11)
O4 Fe7 Na1 1_655 1_655 141.80(10)
O5 Fe7 Na1 1_655 1_655 49.17(10)
O16 Fe7 Na1 . 1_655 132.70(10)
O8 Fe7 Na1 . 1_655 90.92(10)
O18 Fe7 Na1 . 1_655 47.51(10)
O14 Fe7 Na2 1_655 . 142.03(11)
O4 Fe7 Na2 1_655 . 86.34(10)
O5 Fe7 Na2 1_655 . 132.67(10)
O16 Fe7 Na2 . . 48.46(10)
O8 Fe7 Na2 . . 46.64(9)
O18 Fe7 Na2 . . 89.90(10)
Na1 Fe7 Na2 1_655 . 116.97(5)
O1 Si1 O7 . 2_676 112.51(17)
O1 Si1 O20 . 1_565 114.19(17)
O7 Si1 O20 2_676 1_565 105.01(17)
O1 Si1 O10 . 2_676 110.06(19)
O7 Si1 O10 2_676 2_676 108.23(18)
O20 Si1 O10 1_565 2_676 106.45(17)
O1 Si1 Na1 . 2_676 131.69(14)
O7 Si1 Na1 2_676 2_676 48.87(12)
O20 Si1 Na1 1_565 2_676 56.15(12)
O10 Si1 Na1 2_676 2_676 118.08(14)
O1 Si1 Na2 . 1_565 128.21(13)
O7 Si1 Na2 2_676 1_565 119.09(14)
O20 Si1 Na2 1_565 1_565 56.61(12)
O10 Si1 Na2 2_676 1_565 49.84(12)
Na1 Si1 Na2 2_676 1_565 88.42(6)
O2 Si2 O8 . 2_776 117.93(18)
O2 Si2 O9 . 1_565 107.29(18)
O8 Si2 O9 2_776 1_565 110.46(18)
O2 Si2 O19 . 2_776 110.44(17)
O8 Si2 O19 2_776 2_776 103.43(17)
O9 Si2 O19 1_565 2_776 106.79(17)
O2 Si2 Na2 . 2_776 132.58(14)
O9 Si2 Na2 1_565 2_776 119.77(14)
O19 Si2 Na2 2_776 2_776 62.68(12)
O2 Si2 Na1 . 1_665 128.51(13)
O8 Si2 Na1 2_776 1_665 112.51(13)
O9 Si2 Na1 1_565 1_665 61.73(12)
O19 Si2 Na1 2_776 1_665 45.50(12)
Na2 Si2 Na1 2_776 1_665 82.30(6)
O11 Si3 O18 2_666 . 116.30(18)
O11 Si3 O9 2_666 . 112.90(18)
O18 Si3 O9 . . 104.05(18)
O11 Si3 O20 2_666 . 106.83(18)
O18 Si3 O20 . . 111.65(18)
O9 Si3 O20 . . 104.57(17)
O11 Si3 Na1 2_666 2_666 126.30(13)
O18 Si3 Na1 . 2_666 117.39(14)
O9 Si3 Na1 . 2_666 52.40(12)
O20 Si3 Na1 . 2_666 52.27(12)
O11 Si3 Na1 2_666 1_655 132.82(13)
O9 Si3 Na1 . 1_655 62.28(12)
O20 Si3 Na1 . 1_655 119.99(13)
Na1 Si3 Na1 2_666 1_655 89.59(6)
O12 Si4 O17 . . 114.07(18)
O12 Si4 O19 . . 109.57(18)
O17 Si4 O19 . . 107.83(18)
O12 Si4 O10 . . 111.79(18)
O17 Si4 O10 . . 104.57(17)
O19 Si4 O10 . . 108.76(17)
O12 Si4 Na2 . 2_666 133.79(14)
O17 Si4 Na2 . 2_666 50.01(13)
O19 Si4 Na2 . 2_666 116.60(14)
O10 Si4 Na2 . 2_666 54.80(12)
O12 Si4 Na2 . . 127.35(13)
O17 Si4 Na2 . . 118.08(14)
O19 Si4 Na2 . . 60.52(13)
O10 Si4 Na2 . . 48.24(12)
Na2 Si4 Na2 2_666 . 79.71(6)
O3 Si5 O5 . 2_676 109.37(18)
O3 Si5 O6 . . 112.30(18)
O5 Si5 O6 2_676 . 114.05(19)
O3 Si5 O7 . . 110.33(18)
O5 Si5 O7 2_676 . 107.29(17)
O6 Si5 O7 . . 103.21(17)
O16 Si6 O13 2_665 . 110.10(17)
O16 Si6 O15 2_665 . 114.55(18)
O13 Si6 O15 . . 112.47(18)
O16 Si6 O17 2_665 2_666 106.07(17)
O13 Si6 O17 . 2_666 108.50(18)
O15 Si6 O17 . 2_666 104.63(17)
O7 Na1 O18 . 1_455 162.68(13)
O7 Na1 O5 . . 89.23(13)
O18 Na1 O5 1_455 . 78.68(12)
O7 Na1 O15 . . 89.05(12)
O18 Na1 O15 1_455 . 77.62(12)
O5 Na1 O15 . . 84.70(12)
O7 Na1 O19 . 2_666 94.15(13)
O18 Na1 O19 1_455 2_666 95.45(13)
O5 Na1 O19 . 2_666 168.39(14)
O15 Na1 O19 . 2_666 84.25(12)
O7 Na1 O20 . 2_666 62.97(11)
O18 Na1 O20 1_455 2_666 133.82(12)
O5 Na1 O20 . 2_666 117.58(13)
O15 Na1 O20 . 2_666 142.15(14)
O19 Na1 O20 2_666 2_666 73.71(11)
O7 Na1 O9 . 2_666 106.70(13)
O18 Na1 O9 1_455 2_666 83.24(12)
O5 Na1 O9 . 2_666 78.67(12)
O15 Na1 O9 . 2_666 156.75(14)
O19 Na1 O9 2_666 2_666 110.83(12)
O20 Na1 O9 2_666 2_666 61.01(11)
O7 Na1 O9 . 1_455 140.42(12)
O18 Na1 O9 1_455 1_455 56.35(10)
O5 Na1 O9 . 1_455 124.73(13)
O15 Na1 O9 . 1_455 111.59(12)
O19 Na1 O9 2_666 1_455 57.01(10)
O20 Na1 O9 2_666 1_455 81.77(10)
O9 Na1 O9 2_666 1_455 66.72(12)
O7 Na1 Si1 . 2_676 31.04(8)
O18 Na1 Si1 1_455 2_676 165.53(11)
O5 Na1 Si1 . 2_676 105.59(11)
O15 Na1 Si1 . 2_676 116.27(10)
O19 Na1 Si1 2_666 2_676 82.58(9)
O20 Na1 Si1 2_666 2_676 31.94(7)
O9 Na1 Si1 2_666 2_676 84.08(9)
O9 Na1 Si1 1_455 2_676 111.81(9)
O7 Na1 Fe3 . . 80.57(9)
O18 Na1 Fe3 1_455 . 82.13(9)
O5 Na1 Fe3 . . 43.46(8)
O15 Na1 Fe3 . . 42.54(8)
O19 Na1 Fe3 2_666 . 126.24(10)
O20 Na1 Fe3 2_666 . 140.59(10)
O9 Na1 Fe3 2_666 . 122.00(10)
O9 Na1 Fe3 1_455 . 137.36(9)
Si1 Na1 Fe3 2_676 . 110.65(6)
O7 Na1 Si3 . 2_666 85.33(10)
O18 Na1 Si3 1_455 2_666 108.75(10)
O5 Na1 Si3 . 2_666 99.72(10)
O15 Na1 Si3 . 2_666 172.78(11)
O19 Na1 Si3 2_666 2_666 91.64(9)
O20 Na1 Si3 2_666 2_666 30.64(8)
O9 Na1 Si3 2_666 2_666 30.41(8)
O9 Na1 Si3 1_455 2_666 70.61(8)
Si1 Na1 Si3 2_676 2_666 57.14(5)
Fe3 Na1 Si3 . 2_666 140.17(7)
O7 Na1 Fe7 . 1_455 127.35(10)
O18 Na1 Fe7 1_455 1_455 40.24(8)
O5 Na1 Fe7 . 1_455 38.58(9)
O15 Na1 Fe7 . 1_455 81.28(9)
O19 Na1 Fe7 2_666 1_455 135.40(11)
O20 Na1 Fe7 2_666 1_455 135.55(11)
O9 Na1 Fe7 2_666 1_455 75.58(9)
O9 Na1 Fe7 1_455 1_455 90.09(8)
Si1 Na1 Fe7 2_676 1_455 141.24(8)
Fe3 Na1 Fe7 . 1_455 57.85(4)
Si3 Na1 Fe7 2_666 1_455 105.74(6)
O8 Na2 O17 . 2_666 157.47(13)
O8 Na2 O6 . . 77.09(12)
O17 Na2 O6 2_666 . 87.10(13)
O8 Na2 O16 . . 78.31(12)
O17 Na2 O16 2_666 . 84.47(12)
O6 Na2 O16 . . 84.99(12)
O8 Na2 O10 . 2_666 137.37(13)
O17 Na2 O10 2_666 2_666 63.60(11)
O6 Na2 O10 . 2_666 141.15(14)
O16 Na2 O10 . 2_666 114.73(13)
O8 Na2 O10 . . 97.49(13)
O17 Na2 O10 2_666 . 98.28(13)
O6 Na2 O10 . . 89.32(12)
O16 Na2 O10 . . 173.56(13)
O10 Na2 O10 2_666 . 71.66(13)
O8 Na2 O20 . . 83.78(12)
O17 Na2 O20 2_666 . 107.78(13)
O6 Na2 O20 . . 158.04(13)
O16 Na2 O20 . . 80.62(12)
O10 Na2 O20 2_666 . 60.70(11)
O10 Na2 O20 . . 103.93(12)
O8 Na2 O19 . . 55.90(10)
O17 Na2 O19 2_666 . 146.45(12)
O6 Na2 O19 . . 111.39(12)
O16 Na2 O19 . . 123.50(13)
O10 Na2 O19 2_666 . 86.14(11)
O10 Na2 O19 . . 56.11(10)
O20 Na2 O19 . . 64.64(10)
O8 Na2 Si4 . 2_666 168.99(12)
O17 Na2 Si4 2_666 2_666 31.33(8)
O6 Na2 Si4 . 2_666 113.90(11)
O16 Na2 Si4 . 2_666 102.40(11)
O10 Na2 Si4 2_666 2_666 32.39(8)
O10 Na2 Si4 . 2_666 82.66(9)
O20 Na2 Si4 . 2_666 85.50(9)
O19 Na2 Si4 . 2_666 116.69(8)
O8 Na2 Fe4 . . 81.36(9)
O17 Na2 Fe4 2_666 . 76.15(9)
O6 Na2 Fe4 . . 42.54(8)
O16 Na2 Fe4 . . 43.71(8)
O10 Na2 Fe4 2_666 . 137.11(11)
O10 Na2 Fe4 . . 131.21(10)
O20 Na2 Fe4 . . 124.17(10)
O19 Na2 Fe4 . . 136.32(9)
Si4 Na2 Fe4 2_666 . 106.88(7)
O8 Na2 Si1 . 1_545 111.54(11)
O17 Na2 Si1 2_666 1_545 85.12(9)
O16 Na2 Fe7 . . 38.63(8)
O10 Na2 Fe7 2_666 . 135.08(11)
O10 Na2 Fe7 . . 137.37(10)
O20 Na2 Fe7 . . 76.90(8)
O19 Na2 Fe7 . . 88.81(8)
Si4 Na2 Fe7 2_666 . 138.92(8)
Fe4 Na2 Fe7 . . 57.92(4)
Si1 Na2 Fe7 1_545 . 106.28(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Fe1 O4 2_566 2.004(3)
Fe1 O4 1_545 2.004(3)
Fe1 O6 1_445 2.013(3)
Fe1 O6 2_666 2.013(3)
Fe1 O8 1_445 2.083(3)
Fe1 O8 2_666 2.083(3)
Fe2 O14 2_565 2.008(3)
Fe2 O14 . 2.008(3)
Fe2 O15 . 2.011(3)
Fe2 O15 2_565 2.011(3)
Fe2 O18 2_665 2.138(3)
Fe2 O18 1_455 2.138(3)
Fe3 O3 . 2.003(3)
Fe3 O14 . 2.065(3)
Fe3 O15 . 2.154(3)
Fe3 O1 . 2.173(3)
Fe3 O5 . 2.191(3)
Fe3 O11 1_554 2.243(3)
Fe4 O13 . 2.016(3)
Fe4 O4 1_655 2.075(3)
Fe4 O6 . 2.144(3)
Fe4 O12 1_554 2.157(3)
Fe4 O2 . 2.188(3)
Fe4 O16 . 2.195(3)
Fe5 O14 . 2.125(3)
Fe5 O12 1_454 2.128(3)
Fe5 O1 . 2.146(3)
Fe5 O4 . 2.175(3)
Fe5 O12 2_676 2.182(3)
Fe5 O2 2_675 2.183(3)
Fe6 O13 . 2.074(3)
Fe6 O3 . 2.120(3)
Fe6 O11 2_676 2.134(3)
Fe6 O1 2_675 2.153(3)
Fe6 O2 . 2.179(3)
Fe6 O11 1_554 2.212(3)
Fe7 O14 1_655 1.978(3)
Fe7 O4 1_655 1.984(3)
Fe7 O5 1_655 2.026(4)
Fe7 O16 . 2.039(3)
Fe7 O8 . 2.096(3)
Fe7 O18 . 2.099(3)
Si1 O1 . 1.606(4)
Si1 O7 2_676 1.627(3)
Si1 O20 1_565 1.644(3)
Si1 O10 2_676 1.652(4)
Si2 O2 . 1.612(4)
Si2 O8 2_776 1.621(3)
Si2 O9 1_565 1.639(4)
Si2 O19 2_776 1.651(3)
Si3 O11 2_666 1.612(4)
Si3 O18 . 1.621(3)
Si3 O9 . 1.652(3)
Si3 O20 . 1.663(4)
Si4 O12 . 1.599(4)
Si4 O17 . 1.614(3)
Si4 O19 . 1.626(4)
Si4 O10 . 1.645(4)
Si5 O3 . 1.611(3)
Si5 O5 2_676 1.627(4)
Si5 O6 . 1.642(4)
Si5 O7 . 1.666(3)
Si6 O16 2_665 1.620(4)
Si6 O13 . 1.620(3)
Si6 O15 . 1.631(4)
Si6 O17 2_666 1.668(3)
Na1 O7 . 2.376(4)
Na1 O18 1_455 2.395(4)
Na1 O5 . 2.458(4)
Na1 O15 . 2.489(4)
Na1 O19 2_666 2.503(4)
Na1 O20 2_666 2.581(4)
Na1 O9 2_666 2.586(4)
Na1 O9 1_455 2.965(4)
Na2 O8 . 2.376(4)
Na2 O17 2_666 2.378(4)
Na2 O6 . 2.427(4)
Na2 O16 . 2.445(4)
Na2 O10 2_666 2.510(3)
Na2 O10 . 2.633(4)
Na2 O20 . 2.705(4)
Na2 O19 . 2.982(4)
