#------------------------------------------------------------------------------
#$Date: 2018-10-17 05:40:08 +0300 (Wed, 17 Oct 2018) $
#$Revision: 211491 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/12/2021254.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_2021254
loop_
_publ_author_name
'Gumerova, Nadiia I.'
'Dobrov, Anatolie'
'Roller, Alexander'
'Rompel, Annette'
_publ_section_title
;
 Iron(II) and copper(II) paratungstates B: a single-crystal X-ray
 diffraction study
;
_journal_coeditor_code           JR3015
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229618010021
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'Na5 Fe2.5 [W12 O40 (O H)2], 36H2 O'
_chemical_formula_moiety         'Fe2.5 H54 Na5 O71 W12, 7(H2 O)'
_chemical_formula_sum            'Fe2.5 H62 Na5 O78 W12'
_chemical_formula_weight         3771.27
_chemical_name_common            'sodium-iron(II) pararungstateB'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_cell_angle_alpha                92.9341(14)
_cell_angle_beta                 100.6938(14)
_cell_angle_gamma                94.1698(15)
_cell_formula_units_Z            2
_cell_length_a                   12.3758(6)
_cell_length_b                   14.7752(7)
_cell_length_c                   18.8919(8)
_cell_measurement_reflns_used    9822
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.53
_cell_measurement_theta_min      2.18
_cell_volume                     3378.1(3)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection       APEX3
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38068
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         2.250
_diffrn_source                   'sealed xray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    21.022
_exptl_absorpt_correction_T_max  0.0439
_exptl_absorpt_correction_T_min  0.0117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_density_diffrn    3.708
_exptl_crystal_description       needle
_exptl_crystal_F_000             3388
_exptl_crystal_size_max          0.366
_exptl_crystal_size_mid          0.066
_exptl_crystal_size_min          0.042
_refine_diff_density_max         1.567
_refine_diff_density_min         -1.254
_refine_ls_extinction_coef       0.000312(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2016 (Sheldrick, 2016)
;
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     980
_refine_ls_number_reflns         12318
_refine_ls_number_restraints     405
_refine_ls_restrained_S_all      1.365
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0224
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0176P)²+7.2977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0583
_reflns_number_gt                10876
_reflns_number_total             12318
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jr3015sup1.cif
_cod_data_source_block           mo_ando241_p-1
_cod_original_formula_sum        'Fe2.50 H62 Na5 O78 W12'
_cod_database_code               2021254
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.048
_shelx_estimated_absorpt_t_max   0.472
loop_
_space_group_symop_operation_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W W1 0.43982(2) 0.96245(2) 1.17681(2) 0.01193(6) Uani d 1 . .
W W2 0.25947(2) 0.81700(2) 1.03223(2) 0.01230(6) Uani d 1 . .
W W3 0.39839(2) 0.69804(2) 0.93379(2) 0.01231(6) Uani d 1 . .
W W4 0.61176(2) 0.80885(2) 0.88516(2) 0.01207(6) Uani d 1 . .
W W5 0.34632(2) 0.93167(2) 0.87838(2) 0.01145(5) Uani d 1 . .
W W6 0.41877(2) 1.15417(2) 0.92471(2) 0.01161(6) Uani d 1 . .
W W7 0.09965(2) 0.79501(2) 0.57766(2) 0.01183(6) Uani d 1 . .
W W8 0.24036(2) 0.68517(2) 0.47575(2) 0.01201(6) Uani d 1 . .
W W9 0.15423(2) 0.56265(2) 0.62612(2) 0.01127(5) Uani d 1 . .
W W10 0.08150(2) 0.34469(2) 0.56793(2) 0.01140(6) Uani d 1 . .
W W11 -0.06153(2) 0.45282(2) 0.67587(2) 0.01177(6) Uani d 1 . .
W W12 -0.11444(2) 0.68342(2) 0.62245(2) 0.01181(6) Uani d 1 . .
Fe Fe1 0.000000 1.000000 0.500000 0.0146(2) Uani d 1 . .
Fe Fe2 0.07450(6) 0.82233(5) 0.76386(4) 0.01358(16) Uani d 1 . .
Fe Fe3 0.42245(6) 0.66855(5) 0.74623(4) 0.01375(16) Uani d 1 . .
Na Na1 0.500000 0.000000 0.500000 0.0205(7) Uani d 1 . .
Na Na2 0.28394(19) 0.13921(14) 0.60840(11) 0.0213(5) Uani d 1 . .
Na Na3 0.50905(19) 0.63218(14) 0.41748(11) 0.0193(5) Uani d 1 . .
Na Na4 -0.00109(19) 1.11946(14) 0.90833(12) 0.0205(5) Uani d 1 . .
Na Na5 0.19312(19) 1.34276(14) 0.89244(12) 0.0216(5) Uani d 1 . .
Na Na6 0.000000 1.500000 1.000000 0.0270(7) Uani d 1 A .
O O75 0.1001(3) 0.8950(2) 0.53226(19) 0.0156(8) Uani d 1 . .
O O77 0.0108(3) 1.0403(3) 0.6088(2) 0.0216(9) Uani d 1 . .
H H77A -0.022(3) 1.079(2) 0.634(2) 0.032 Uiso d 1 . .
H H77B 0.0826(10) 1.056(3) 0.6221(19) 0.032 Uiso d 1 . .
O O1 0.3979(3) 0.9495(2) 1.25833(19) 0.0168(8) Uani d 1 . .
O O78 -0.2529(3) 0.7055(2) 0.60234(19) 0.0157(8) Uani d 1 . .
O O2 0.5723(3) 1.0360(2) 1.20459(19) 0.0141(8) Uani d 1 . .
O O76 0.1546(3) 1.0778(2) 0.49860(19) 0.0167(8) Uani d 1 . .
O O3 0.5139(3) 0.8592(2) 1.16577(18) 0.0141(8) Uani d 1 . .
O O4 0.3706(3) 1.0748(2) 1.14768(19) 0.0149(8) Uani d 1 . .
O O5 0.5025(3) 0.9800(2) 1.07220(18) 0.0127(7) Uani d 1 . .
O O6 0.3153(3) 0.9044(2) 1.10875(19) 0.0137(8) Uani d 1 . .
O O7 0.2386(3) 0.7250(2) 1.08414(19) 0.0177(8) Uani d 1 . .
O O8 0.4370(3) 0.7922(2) 1.03049(18) 0.0138(8) Uani d 1 . .
O O9 0.3135(3) 0.9243(2) 0.96673(19) 0.0144(8) Uani d 1 . .
O O10 0.1258(3) 0.8510(2) 1.00611(19) 0.0162(8) Uani d 1 . .
O O11 0.2618(3) 0.7439(2) 0.94416(18) 0.0140(8) Uani d 1 . .
O O12 0.3941(3) 0.6005(2) 0.98167(19) 0.0165(8) Uani d 1 . .
O O13 0.5521(3) 0.7084(2) 0.93601(19) 0.0145(8) Uani d 1 . .
O O14 0.3535(3) 0.6564(2) 0.84180(18) 0.0142(8) Uani d 1 . .
O O15 0.7498(3) 0.7843(2) 0.90512(19) 0.0163(8) Uani d 1 . .
O O16 0.5632(3) 0.7473(2) 0.80024(19) 0.0154(8) Uani d 1 . .
O O17 0.4373(3) 0.8345(2) 0.88711(19) 0.0148(8) Uani d 1 . .
O O18 0.3123(3) 1.0590(2) 0.87348(18) 0.0135(7) Uani d 1 . .
O O19 0.2265(3) 0.8848(2) 0.82087(19) 0.0157(8) Uani d 1 . .
O O20 0.3779(3) 1.1284(2) 1.00996(18) 0.0135(8) Uani d 1 . .
O O21 0.3490(3) 1.2486(2) 0.90007(19) 0.0162(8) Uani d 1 . .
O O22 0.4906(3) 0.5437(2) 0.7766(2) 0.0176(8) Uani d 1 . .
H H22A 0.471921 0.525896 0.818159 0.026 Uiso d 1 . .
H H22B 0.565119 0.549590 0.783409 0.026 Uiso d 1 . .
O O23 0.4817(3) 0.6504(2) 0.6488(2) 0.0189(8) Uani d 1 . .
H H23A 0.534097 0.610923 0.653309 0.028 Uiso d 1 . .
H H23B 0.511449 0.703254 0.636478 0.028 Uiso d 1 . .
O O24 0.3712(3) 0.7970(2) 0.71232(19) 0.0170(8) Uani d 1 . .
H H24A 0.400970 0.812752 0.674860 0.026 Uiso d 1 . .
H H24B 0.392232 0.840087 0.747703 0.026 Uiso d 1 . .
O O25 0.2710(3) 0.6072(2) 0.68784(19) 0.0145(8) Uani d 1 . .
O O26 0.1417(3) 0.8342(2) 0.67012(19) 0.0163(8) Uani d 1 . .
O O27 0.0118(3) 0.8350(2) 0.85913(19) 0.0175(8) Uani d 1 . .
H H27A -0.019350 0.780861 0.870617 0.026 Uiso d 1 . .
H H27B -0.041858 0.874914 0.855558 0.026 Uiso d 1 . .
O O28 0.0044(3) 0.9491(2) 0.73617(19) 0.0171(8) Uani d 1 . .
H H28A 0.025(4) 0.961(3) 0.6950(14) 0.026 Uiso d 1 . .
H H28B 0.025(5) 0.999(2) 0.7650(19) 0.026 Uiso d 1 . .
O O29 0.1294(3) 0.6937(2) 0.7944(2) 0.0171(8) Uani d 1 . .
H H29A 0.120845 0.654521 0.755798 0.026 Uiso d 1 . .
H H29B 0.090838 0.670087 0.825449 0.026 Uiso d 1 . .
O O30 -0.0686(3) 0.7429(2) 0.70806(19) 0.0173(8) Uani d 1 . .
O O31 -0.0565(3) 0.7844(2) 0.57317(19) 0.0130(7) Uani d 1 . .
O O32 0.0612(3) 0.6594(2) 0.62006(19) 0.0152(8) Uani d 1 . .
O O33 0.0626(3) 0.7070(2) 0.47893(19) 0.0138(8) Uani d 1 . .
O O34 0.1905(3) 0.5774(2) 0.53939(19) 0.0158(8) Uani d 1 . .
O O35 0.2371(3) 0.7542(2) 0.56669(18) 0.0149(8) Uani d 1 . .
O O36 0.2569(3) 0.7839(2) 0.42933(19) 0.0150(8) Uani d 1 . .
O O37 0.3757(3) 0.6545(2) 0.49892(19) 0.0163(8) Uani d 1 . .
O O38 -0.1295(3) 0.5646(2) 0.65250(19) 0.0146(8) Uani d 1 . .
O O39 -0.1851(3) 0.3951(2) 0.60394(19) 0.0137(7) Uani d 1 . .
O O40 -0.1030(3) 0.4288(2) 0.7553(2) 0.0177(8) Uani d 1 . .
O O41 0.0140(3) 0.3492(2) 0.65924(18) 0.0134(7) Uani d 1 . .
O O42 0.0032(3) 0.4785(2) 0.57249(18) 0.0134(8) Uani d 1 . .
O O43 0.0721(3) 0.5233(2) 0.70755(19) 0.0143(8) Uani d 1 . .
O O44 -0.1231(3) 0.6218(2) 0.51595(18) 0.0128(7) Uani d 1 . .
O O45 0.1879(3) 0.4362(2) 0.62501(18) 0.0134(7) Uani d 1 . .
O O46 0.1513(3) 0.2498(2) 0.58872(19) 0.0157(8) Uani d 1 . .
O O47 0.3478(3) 0.2254(2) 0.7211(2) 0.0203(9) Uani d 1 . .
H H47A 0.376148 0.281108 0.714149 0.030 Uiso d 1 . .
H H47B 0.400373 0.197678 0.748989 0.030 Uiso d 1 . .
O O48 0.2635(4) 0.0174(3) 0.6787(2) 0.0340(11) Uani d 1 . .
H H48A 0.329102 0.003969 0.702825 0.051 Uiso d 1 . .
H H48B 0.232193 -0.032050 0.651118 0.051 Uiso d 1 . .
O O49 0.4680(4) 0.0895(3) 0.6048(2) 0.0229(9) Uani d 1 . .
H H49A 0.505130 0.135577 0.631042 0.034 Uiso d 1 . .
H H49B 0.466632 0.046477 0.634452 0.034 Uiso d 1 . .
O O50 0.7003(3) 0.0214(2) 0.5578(2) 0.0216(9) Uani d 1 . .
H H50A 0.709887 0.009412 0.604986 0.032 Uiso d 1 . .
H H50B 0.727030 0.080448 0.559699 0.032 Uiso d 1 . .
O O51 0.5203(4) 0.1320(3) 0.4330(2) 0.0265(9) Uani d 1 . .
H H51A 0.478(4) 0.139(4) 0.3902(16) 0.040 Uiso d 1 . .
H H51B 0.5888(17) 0.150(4) 0.427(3) 0.040 Uiso d 1 . .
O O52 0.6197(4) 0.7649(2) 0.4778(2) 0.0215(9) Uani d 1 . .
H H52A 0.663(3) 0.7394(10) 0.5110(18) 0.032 Uiso d 1 . .
H H52B 0.577(4) 0.797(4) 0.499(2) 0.032 Uiso d 1 . .
O O53 0.4156(3) 0.7413(3) 0.3450(2) 0.0232(9) Uani d 1 . .
H H53A 0.355(2) 0.745(4) 0.362(2) 0.035 Uiso d 1 . .
H H53B 0.397(4) 0.728(4) 0.2988(8) 0.035 Uiso d 1 . .
O O54 0.6019(3) 0.6050(2) 0.32011(19) 0.0185(8) Uani d 1 . .
H H54A 0.569316 0.556728 0.292040 0.028 Uiso d 1 . .
H H54B 0.671969 0.594865 0.336455 0.028 Uiso d 1 . .
O O55 0.6443(3) 0.5476(2) 0.4892(2) 0.0193(8) Uani d 1 . .
H H55A 0.713115 0.572858 0.490711 0.029 Uiso d 1 . .
H H55B 0.640827 0.489651 0.470739 0.029 Uiso d 1 . .
O O56 0.4026(3) 0.4899(2) 0.3769(2) 0.0205(8) Uani d 1 . .
H H56A 0.351594 0.497092 0.338263 0.031 Uiso d 1 . .
H H56B 0.369101 0.469394 0.411358 0.031 Uiso d 1 . .
O O58 0.1426(3) 1.0451(2) 0.9812(2) 0.0220(9) Uani d 1 . .
H H58A 0.208095 1.069437 0.976634 0.033 Uiso d 1 . .
H H58B 0.137172 0.986597 0.967312 0.033 Uiso d 1 . .
O O59 0.1030(3) 1.0982(2) 0.8154(2) 0.0196(8) Uani d 1 . .
H H59A 0.172924 1.082290 0.833307 0.029 Uiso d 1 . .
H H59B 0.111317 1.150360 0.791637 0.029 Uiso d 1 . .
O O60 -0.1092(3) 0.9738(2) 0.8820(2) 0.0231(9) Uani d 1 . .
H H60A -0.166090 0.977993 0.846658 0.035 Uiso d 1 . .
H H60B -0.134022 0.956833 0.920654 0.035 Uiso d 1 . .
O O61 0.3140(3) 1.4191(2) 0.9940(2) 0.0229(9) Uani d 1 . .
H H61A 0.369086 1.458527 0.980717 0.034 Uiso d 1 . .
H H61B 0.352070 1.378925 1.025227 0.034 Uiso d 1 . .
O O62 0.1017(4) 1.2528(3) 0.9709(2) 0.0218(9) Uani d 1 . .
H H62A 0.145760 1.229523 1.005333 0.033 Uiso d 1 . .
H H62B 0.060640 1.285112 0.993112 0.033 Uiso d 1 . .
O O63 0.1595(3) 1.2692(2) 0.7723(2) 0.0204(8) Uani d 1 . .
H H63A 0.214911 1.286341 0.744070 0.031 Uiso d 1 . .
H H63B 0.090044 1.282058 0.742511 0.031 Uiso d 1 . .
O O64 -0.1812(4) 1.4738(3) 0.9349(2) 0.0286(10) Uani d 1 . .
H H64A -0.234836 1.515714 0.949155 0.043 Uiso d 1 A .
H H64B -0.218263 1.412264 0.938246 0.043 Uiso d 1 . .
O O65 -0.0222(4) 1.3617(3) 1.0594(2) 0.0269(9) Uani d 1 . .
H H65A -0.092383 1.350512 1.064955 0.040 Uiso d 1 A .
H H65B 0.021278 1.365054 1.103450 0.040 Uiso d 1 . .
O O74 0.2373(4) 1.4742(3) 0.8282(2) 0.0339(11) Uani d 1 . .
H H74A 0.277054 1.459042 0.795994 0.051 Uiso d 1 . .
H H74B 0.275256 1.516954 0.859008 0.051 Uiso d 1 . .
O O66 0.0455(9) 1.4372(6) 0.8932(6) 0.025(2) Uani d 0.5 A 1
O O67 -0.0980(10) 1.2057(8) 0.8245(6) 0.040(3) Uani d 0.5 B 1
H H67A -0.172297 1.223060 0.834440 0.061 Uiso d 0.5 B 1
H H67B -0.118922 1.176966 0.772875 0.061 Uiso d 0.5 B 1
O O166 0.0109(11) 1.3927(8) 0.8881(6) 0.036(3) Uani d 0.5 A 2
O O167 -0.1337(10) 1.1537(9) 0.8069(7) 0.047(3) Uani d 0.5 B 2
H H16A -0.120091 1.218036 0.783218 0.070 Uiso d 0.5 B 2
H H16B -0.219353 1.157915 0.813213 0.070 Uiso d 0.5 B 2
O O57 0.3650(4) 0.6621(3) 0.2063(2) 0.0269(9) Uani d 1 . .
H H57A 0.426675 0.650088 0.193605 0.040 Uiso d 1 . .
H H57B 0.322656 0.684798 0.170648 0.040 Uiso d 1 . .
O O68 0.8504(4) 0.6607(2) 0.8242(2) 0.0222(9) Uani d 1 . .
H H68A 0.874753 0.686576 0.789231 0.033 Uiso d 1 . .
H H68B 0.811052 0.697443 0.843819 0.033 Uiso d 1 . .
O O69 0.6958(3) 0.5233(3) 0.7662(2) 0.0230(9) Uani d 1 . .
H H69A 0.706601 0.467755 0.777240 0.034 Uiso d 1 . .
H H69B 0.749060 0.560225 0.790897 0.034 Uiso d 1 . .
O O70 0.4874(4) 0.4128(3) 0.8762(2) 0.0258(9) Uani d 1 . .
H H70A 0.526630 0.411288 0.919288 0.039 Uiso d 1 . .
H H70B 0.422232 0.385367 0.874613 0.039 Uiso d 1 . .
O O71 0.9183(3) 0.1787(2) 0.6740(2) 0.0227(9) Uani d 1 . .
H H71A 0.945097 0.231566 0.664001 0.034 Uiso d 1 . .
H H71B 0.851249 0.167453 0.649725 0.034 Uiso d 1 . .
O O72 0.7852(4) 0.9728(3) 0.7021(2) 0.0282(10) Uani d 1 . .
H H72A 0.741468 0.923175 0.697101 0.042 Uiso d 1 . .
H H72B 0.751210 1.018193 0.715589 0.042 Uiso d 1 . .
O O73 0.6434(4) 0.8229(2) 0.6820(2) 0.0211(9) Uani d 1 . .
H H73A 0.614540 0.802804 0.717447 0.032 Uiso d 1 . .
H H73B 0.681198 0.781510 0.666241 0.032 Uiso d 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Fe Fe 0.3463 0.8444 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
O67a Na4 Na5 . . 72.3(3)
O167b Na4 Na5 . . 91.8(3)
O67a Na4 O10 . 2_577 91.4(3)
O1 W1 O2 . . 102.23(16)
O1 W1 O3 . . 102.82(16)
O1 W1 O4 . . 100.36(16)
O1 W1 O5 . . 177.56(16)
O1 W1 O6 . . 102.08(16)
O167b Na4 O10 . 2_577 92.8(3)
O167b Na4 O58 . . 160.3(3)
O67a Na4 O58 . . 164.0(3)
O167b Na4 O59 . . 80.4(3)
O67a Na4 O59 . . 82.0(3)
O67a Na4 O60 . . 100.9(3)
O167b Na4 O60 . . 79.8(3)
O67a Na4 O62 . . 91.2(3)
O167b Na4 O62 . . 112.6(3)
O66a Na5 Na4 . . 91.9(2)
O2 W1 O4 . . 86.64(15)
O2 W1 O5 . . 75.66(14)
O2 W1 O6 . . 154.94(15)
O166b Na5 Na4 . . 74.3(3)
O66a Na5 Na6 . . 28.3(3)
O166b Na5 Na6 . . 35.4(3)
O166b Na5 O21 . . 163.0(3)
O3 W1 O2 . . 92.10(16)
O3 W1 O4 . . 156.51(14)
O3 W1 O5 . . 76.16(13)
O3 W1 O6 . . 88.40(15)
O4 W1 O5 . . 80.82(13)
O6 W1 O4 . . 83.09(15)
O6 W1 O5 . . 80.15(14)
O6 W2 O8 . . 86.58(14)
O6 W2 O9 . . 82.77(14)
O6 W2 O11 . . 155.70(15)
O7 W2 O6 . . 97.75(16)
O7 W2 O8 . . 93.99(16)
O7 W2 O9 . . 170.19(16)
O7 W2 O10 . . 102.74(17)
O7 W2 O11 . . 95.65(15)
O66a Na5 O21 . . 176.3(3)
O66a Na5 O61 . . 96.4(3)
O166b Na5 O62 . . 71.7(3)
O66a Na5 O62 . . 84.3(3)
O66a Na5 O63 . . 105.1(3)
O166b Na5 O63 . . 97.0(3)
O166b Na5 O74 . . 88.6(3)
O66a Na5 O74 . . 74.2(3)
O66a Na6 Na5 2_587 2_587 28.5(3)
O166b Na6 Na5 . 2_587 147.6(3)
O66a Na6 Na5 . 2_587 151.5(3)
O166b Na6 Na5 2_587 . 147.6(3)
O66a Na6 Na5 2_587 . 151.5(3)
O166b Na6 Na5 2_587 2_587 32.4(3)
O166b Na6 Na5 . . 32.4(3)
O9 W2 O8 . . 76.25(13)
O10 W2 O6 . . 100.05(16)
O10 W2 O8 . . 160.90(15)
O10 W2 O9 . . 86.76(15)
O10 W2 O11 . . 96.62(16)
O11 W2 O8 . . 72.31(14)
O11 W2 O9 . . 80.65(13)
O8 W3 O17 . . 77.47(13)
O11 W3 O8 . . 74.48(14)
O11 W3 O17 . . 85.82(14)
O12 W3 O8 . . 94.71(15)
O12 W3 O11 . . 100.68(16)
O12 W3 O13 . . 97.09(16)
O12 W3 O14 . . 103.75(16)
O12 W3 O17 . . 168.24(16)
O13 W3 O8 . . 85.38(14)
O13 W3 O11 . . 154.04(14)
O13 W3 O17 . . 73.75(14)
O14 W3 O8 . . 160.44(14)
O14 W3 O11 . . 95.49(16)
O14 W3 O13 . . 98.50(16)
O14 W3 O17 . . 85.19(14)
O4 W4 O13 2_677 . 158.70(15)
O4 W4 O17 2_677 . 87.50(14)
O4 W4 O20 2_677 2_677 87.80(14)
O13 W4 O17 . . 73.81(14)
O13 W4 O20 . 2_677 78.33(13)
O15 W4 O4 . 2_677 99.78(16)
O15 W4 O13 . . 96.69(16)
O15 W4 O16 . . 102.35(17)
O15 W4 O17 . . 166.45(15)
O15 W4 O20 . 2_677 91.54(16)
O16 W4 O4 . 2_677 98.64(16)
O16 W4 O13 . . 90.86(15)
O16 W4 O17 . . 87.68(16)
O16 W4 O20 . 2_677 163.37(16)
O20 W4 O17 2_677 . 77.24(14)
O2 W5 O5 2_677 2_677 73.17(13)
O9 W5 O2 . 2_677 161.79(16)
O9 W5 O5 . 2_677 88.63(15)
O9 W5 O17 . . 94.60(16)
O9 W5 O18 . . 92.85(15)
O17 W5 O2 . 2_677 83.63(14)
O17 W5 O5 . 2_677 86.14(15)
O66a Na6 Na5 . . 28.5(3)
O66a Na6 O65 . 2_587 81.5(3)
O66a Na6 O65 2_587 2_587 98.5(3)
O66a Na6 O65 2_587 . 81.5(3)
O66a Na6 O65 . . 98.5(3)
O66a Na6 O66 . 2_587 180.0
O166b Na6 O166 . 2_587 180.0
Na5 O166b Na6 . . 112.2(5)
Na6 O66a Na5 . . 123.2(5)
O17 W5 O18 . . 156.21(16)
O18 W5 O2 . 2_677 82.29(14)
O18 W5 O5 . 2_677 71.47(14)
O19 W5 O2 . 2_677 94.39(15)
O19 W5 O5 . 2_677 163.66(14)
O19 W5 O9 . . 103.63(17)
O19 W5 O17 . . 103.30(16)
O19 W5 O18 . . 96.82(16)
O3 W6 O5 2_677 2_677 72.91(13)
O8 W6 O3 2_677 2_677 84.52(15)
O8 W6 O5 2_677 2_677 85.68(14)
O8 W6 O18 2_677 . 155.62(15)
O18 W6 O3 . 2_677 82.76(14)
O18 W6 O5 . 2_677 70.73(14)
O20 W6 O3 . 2_677 160.28(14)
O20 W6 O5 . 2_677 87.38(14)
O20 W6 O8 . 2_677 94.35(16)
O20 W6 O18 . . 90.72(15)
O21 W6 O3 . 2_677 96.16(15)
O21 W6 O5 . 2_677 165.95(15)
O21 W6 O8 . 2_677 102.36(16)
O21 W6 O18 . . 99.63(16)
O21 W6 O20 . . 103.29(16)
O75 W7 O26 . . 103.42(16)
O75 W7 O31 . . 94.64(16)
O75 W7 O32 . . 167.01(16)
O75 W7 O33 . . 93.94(15)
O75 W7 O35 . . 100.95(16)
O26 W7 O31 . . 98.53(16)
O26 W7 O32 . . 85.41(14)
O26 W7 O33 . . 161.89(14)
O26 W7 O35 . . 95.91(16)
O31 W7 O32 . . 74.41(14)
O31 W7 O33 . . 84.98(14)
O33 W7 O32 . . 78.40(13)
O35 W7 O31 . . 155.66(14)
O35 W7 O32 . . 87.39(14)
O35 W7 O33 . . 75.47(14)
O34 W8 O33 . . 76.31(13)
O35 W8 O33 . . 72.16(14)
O35 W8 O34 . . 79.27(14)
O36 W8 O33 . . 92.20(15)
O36 W8 O34 . . 167.70(15)
O36 W8 O35 . . 93.19(15)
O36 W8 O39 . 2_566 97.99(15)
O37 W8 O33 . . 162.25(15)
O37 W8 O34 . . 88.05(15)
O37 W8 O35 . . 97.00(16)
O37 W8 O36 . . 102.61(17)
O37 W8 O39 . 2_566 101.14(16)
O39 W8 O33 2_566 . 86.20(15)
O39 W8 O34 2_566 . 85.75(14)
O39 W8 O35 2_566 . 156.00(15)
O25 W9 O32 . . 103.17(16)
O25 W9 O34 . . 104.38(17)
O25 W9 O42 . . 163.37(14)
O25 W9 O43 . . 92.49(15)
O25 W9 O45 . . 97.59(16)
O32 W9 O42 . . 84.68(14)
O32 W9 O43 . . 84.03(14)
O32 W9 O45 . . 155.61(16)
O34 W9 O32 . . 94.46(15)
O34 W9 O42 . . 89.37(15)
O34 W9 O43 . . 162.93(16)
O34 W9 O45 . . 92.62(15)
O43 W9 O42 . . 73.56(13)
O45 W9 O42 . . 72.07(14)
O45 W9 O43 . . 82.42(14)
O33 W10 O41 2_566 . 84.49(14)
O33 W10 O42 2_566 . 85.99(14)
O33 W10 O45 2_566 . 155.71(15)
O41 W10 O42 . . 72.95(13)
O44 W10 O33 2_566 2_566 94.56(15)
O44 W10 O41 2_566 . 160.62(14)
O44 W10 O42 2_566 . 87.67(14)
O44 W10 O45 2_566 . 91.49(15)
O45 W10 O41 . . 82.10(14)
O45 W10 O42 . . 70.76(13)
O46 W10 O33 . 2_566 102.68(16)
O46 W10 O41 . . 95.21(15)
O46 W10 O42 . . 164.79(15)
O46 W10 O44 . 2_566 103.85(16)
O46 W10 O45 . . 98.64(16)
O38 W11 O39 . . 84.45(15)
O38 W11 O42 . . 81.24(14)
O39 W11 O42 . . 79.88(14)
O40 W11 O38 . . 102.46(16)
O40 W11 O39 . . 101.77(16)
O40 W11 O41 . . 100.97(16)
O40 W11 O42 . . 176.04(16)
O40 W11 O43 . . 102.78(17)
O41 W11 O38 . . 156.18(15)
O41 W11 O39 . . 86.64(15)
O41 W11 O42 . . 75.46(13)
O43 W11 O38 . . 87.92(15)
O43 W11 O39 . . 155.33(15)
O43 W11 O41 . . 91.09(15)
O43 W11 O42 . . 75.78(14)
O78 W12 O30 . . 102.32(17)
O78 W12 O31 . . 97.07(15)
O78 W12 O32 . . 166.24(15)
O78 W12 O38 . . 99.83(16)
O78 W12 O44 . . 91.39(15)
O30 W12 O31 . . 91.54(15)
O30 W12 O32 . . 88.42(16)
O30 W12 O38 . . 99.13(16)
O30 W12 O44 . . 163.89(16)
O31 W12 O32 . . 73.79(13)
O31 W12 O44 . . 78.25(13)
O38 W12 O31 . . 157.54(15)
O38 W12 O32 . . 86.74(14)
O38 W12 O44 . . 86.63(14)
O44 W12 O32 . . 76.83(13)
O75 Fe1 O75 2_576 . 180.00(17)
O75 Fe1 O76 . . 84.52(14)
O75 Fe1 O76 2_576 2_576 84.51(14)
O75 Fe1 O76 . 2_576 95.48(14)
O75 Fe1 O76 2_576 . 95.49(14)
O77 Fe1 O75 . . 88.54(15)
O77 Fe1 O75 2_576 2_576 88.54(15)
O77 Fe1 O75 2_576 . 91.46(15)
O77 Fe1 O75 . 2_576 91.46(15)
O77 Fe1 O77 2_576 . 180.0(2)
O77 Fe1 O76 . 2_576 89.27(15)
O77 Fe1 O76 2_576 2_576 90.73(15)
O77 Fe1 O76 2_576 . 89.27(15)
O77 Fe1 O76 . . 90.73(15)
O76 Fe1 O76 2_576 . 180.0
O19 Fe2 O28 . . 94.86(14)
O19 Fe2 O29 . . 88.73(14)
O19 Fe2 O30 . . 172.37(14)
O26 Fe2 O19 . . 86.58(14)
O26 Fe2 O28 . . 84.95(14)
O26 Fe2 O29 . . 99.31(14)
O26 Fe2 O30 . . 93.00(14)
O27 Fe2 O19 . . 88.57(15)
O27 Fe2 O26 . . 170.10(14)
O27 Fe2 O28 . . 86.87(14)
O27 Fe2 O29 . . 89.20(14)
O27 Fe2 O30 . . 92.94(15)
O29 Fe2 O28 . . 174.61(15)
O30 Fe2 O28 . . 92.69(14)
O30 Fe2 O29 . . 83.82(14)
O16 Fe3 O14 . . 93.57(14)
O16 Fe3 O22 . . 92.74(14)
O16 Fe3 O23 . . 94.67(15)
O16 Fe3 O24 . . 83.16(14)
O16 Fe3 O25 . . 171.65(14)
O22 Fe3 O14 . . 83.38(14)
O23 Fe3 O14 . . 167.85(14)
O23 Fe3 O22 . . 87.31(14)
O23 Fe3 O24 . . 88.30(14)
O24 Fe3 O14 . . 101.55(14)
O24 Fe3 O22 . . 173.74(15)
O25 Fe3 O14 . . 87.26(14)
O25 Fe3 O22 . . 95.61(14)
O25 Fe3 O23 . . 85.89(14)
O25 Fe3 O24 . . 88.53(14)
O49 Na1 O49 . 2_656 180.0
O49 Na1 O50 . 2_656 94.06(13)
O49 Na1 O50 2_656 2_656 85.94(13)
O49 Na1 O50 2_656 . 94.06(13)
O49 Na1 O50 . . 85.94(13)
O50 Na1 O50 2_656 . 180.0
O51 Na1 O49 . 2_656 87.15(13)
O51 Na1 O49 . . 92.85(13)
O51 Na1 O49 2_656 . 87.15(13)
O51 Na1 O49 2_656 2_656 92.85(13)
O51 Na1 O50 2_656 2_656 90.54(14)
O51 Na1 O50 . 2_656 89.46(14)
O51 Na1 O50 2_656 . 89.46(14)
O51 Na1 O50 . . 90.54(14)
O51 Na1 O51 . 2_656 180.0
O76 Na2 Na3 1_545 2_666 115.31(11)
O76 Na2 O52 1_545 2_666 85.72(14)
O46 Na2 Na3 . 2_666 80.08(10)
O46 Na2 O76 . 1_545 76.13(14)
O46 Na2 O47 . . 83.98(14)
O46 Na2 O49 . . 151.08(16)
O46 Na2 O52 . 2_666 83.19(14)
O47 Na2 Na3 . 2_666 69.12(11)
O47 Na2 O76 . 1_545 158.13(17)
O47 Na2 O49 . . 92.49(15)
O47 Na2 O52 . 2_666 101.02(15)
O48 Na2 Na3 . 2_666 144.46(14)
O48 Na2 O76 . 1_545 97.84(16)
O48 Na2 O46 . . 122.29(18)
O48 Na2 O47 . . 85.06(16)
O48 Na2 O49 . . 85.78(16)
O48 Na2 O52 . 2_666 154.45(18)
O49 Na2 Na3 . 2_666 71.91(11)
O49 Na2 O76 . 1_545 109.31(15)
O49 Na2 O52 . 2_666 69.29(14)
O52 Na2 Na3 2_666 2_666 31.89(9)
O37 Na3 Na2 . 2_666 116.60(11)
O52 Na3 Na2 . 2_666 34.80(10)
O52 Na3 O37 . . 88.80(14)
O52 Na3 O55 . . 85.00(15)
O53 Na3 Na2 . 2_666 66.75(11)
O53 Na3 O37 . . 86.52(14)
O53 Na3 O52 . . 83.44(15)
O53 Na3 O55 . . 165.38(17)
O53 Na3 O56 . . 104.30(16)
O54 Na3 Na2 . 2_666 69.01(10)
O54 Na3 O37 . . 167.68(17)
O54 Na3 O52 . . 100.05(16)
O54 Na3 O53 . . 86.01(15)
O54 Na3 O55 . . 87.22(15)
O54 Na3 O56 . . 86.22(14)
O55 Na3 Na2 . 2_666 98.71(11)
O55 Na3 O37 . . 102.18(14)
O56 Na3 Na2 . 2_666 153.79(12)
O56 Na3 O37 . . 86.15(14)
O56 Na3 O52 . . 170.45(16)
O56 Na3 O55 . . 88.15(15)
O10 Na4 Na5 2_577 . 110.91(11)
O58 Na4 Na5 . . 94.56(12)
O58 Na4 O10 . 2_577 102.18(15)
O58 Na4 O60 . . 89.00(15)
O59 Na4 Na5 . . 68.57(10)
O59 Na4 O10 . 2_577 173.18(17)
O59 Na4 O58 . . 84.62(15)
O59 Na4 O60 . . 95.17(15)
O59 Na4 O62 . . 98.88(15)
O60 Na4 Na5 . . 162.87(13)
O60 Na4 O10 . 2_577 84.57(14)
O62 Na4 Na5 . . 34.07(10)
O62 Na4 O10 . 2_577 82.69(14)
O62 Na4 O58 . . 82.18(15)
O62 Na4 O60 . . 162.60(16)
Na4 Na5 Na6 . . 90.45(5)
O21 Na5 Na4 . . 88.71(11)
O21 Na5 Na6 . . 148.08(11)
O61 Na5 Na4 . . 122.47(12)
O61 Na5 Na6 . . 73.42(11)
O61 Na5 O21 . . 80.23(14)
O61 Na5 O62 . . 90.73(15)
O61 Na5 O63 . . 151.18(18)
O61 Na5 O74 . . 85.58(15)
O61 Na5 O166 . . 108.6(3)
O62 Na5 Na4 . . 33.69(10)
O62 Na5 Na6 . . 68.87(11)
O62 Na5 O21 . . 94.18(15)
O62 Na5 O74 . . 157.62(18)
O63 Na5 Na4 . . 76.45(11)
O63 Na5 Na6 . . 131.93(13)
O63 Na5 O21 . . 78.65(14)
O63 Na5 O62 . . 110.12(15)
O63 Na5 O74 . . 82.05(15)
O74 Na5 Na4 . . 150.39(14)
O74 Na5 Na6 . . 88.95(13)
O74 Na5 O21 . . 106.88(17)
Na5 Na6 Na5 2_587 . 180.0
O64 Na6 Na5 . . 106.43(10)
O64 Na6 Na5 2_587 2_587 106.43(11)
O64 Na6 Na5 . 2_587 73.57(10)
O64 Na6 Na5 2_587 . 73.57(11)
O64 Na6 O64 . 2_587 180.0
O64 Na6 O65 . 2_587 89.83(14)
O64 Na6 O65 . . 90.17(15)
O64 Na6 O65 2_587 . 89.83(14)
O64 Na6 O65 2_587 2_587 90.17(15)
O64 Na6 O66 2_587 . 96.6(3)
O64 Na6 O66 . . 83.4(3)
O64 Na6 O66 . 2_587 96.6(3)
O64 Na6 O66 2_587 2_587 83.4(3)
O64 Na6 O166 . 2_587 105.8(3)
O64 Na6 O166 . . 74.2(3)
O64 Na6 O166 2_587 2_587 74.2(3)
O64 Na6 O166 2_587 . 105.8(3)
O65 Na6 Na5 . . 81.74(11)
O65 Na6 Na5 2_587 2_587 81.74(11)
O65 Na6 Na5 . 2_587 98.26(11)
O65 Na6 Na5 2_587 . 98.26(11)
O65 Na6 O65 . 2_587 180.0
O65 Na6 O166 . 2_587 95.1(3)
O65 Na6 O166 2_587 2_587 84.9(3)
O65 Na6 O166 2_587 . 95.1(3)
O65 Na6 O166 . . 84.9(3)
W7 O75 Fe1 . . 141.2(2)
W1 O2 W5 . 2_677 115.40(17)
Fe1 O76 Na2 . 1_565 123.52(16)
W1 O3 W6 . 2_677 116.84(17)
W4 O4 W1 2_677 . 147.3(2)
W5 O5 W1 2_677 . 95.76(13)
W5 O5 W6 2_677 2_677 97.18(14)
W6 O5 W1 2_677 . 94.06(12)
W2 O6 W1 . . 149.1(2)
W3 O8 W2 . . 95.05(14)
W6 O8 W2 2_677 . 137.59(17)
W6 O8 W3 2_677 . 125.95(18)
W5 O9 W2 . . 137.20(18)
W2 O10 Na4 . 2_577 123.67(18)
W3 O11 W2 . . 117.26(18)
W3 O13 W4 . . 117.31(18)
W3 O14 Fe3 . . 133.7(2)
W4 O16 Fe3 . . 138.8(2)
W4 O17 W3 . . 93.90(13)
W5 O17 W3 . . 125.71(18)
W5 O17 W4 . . 139.11(18)
W6 O18 W5 . . 119.54(18)
W5 O19 Fe2 . . 172.3(2)
W6 O20 W4 . 2_677 138.94(18)
W6 O21 Na5 . . 154.0(2)
W9 O25 Fe3 . . 169.9(2)
W7 O26 Fe2 . . 135.4(2)
W12 O30 Fe2 . . 137.9(2)
W7 O31 W12 . . 116.06(17)
W9 O32 W7 . . 124.93(18)
W9 O32 W12 . . 139.49(18)
W12 O32 W7 . . 94.25(13)
W7 O33 W8 . . 95.16(14)
W10 O33 W7 2_566 . 125.80(18)
W10 O33 W8 2_566 . 137.86(18)
W9 O34 W8 . . 139.68(18)
W7 O35 W8 . . 116.42(18)
W8 O37 Na3 . . 127.58(19)
W12 O38 W11 . . 147.9(2)
W8 O39 W11 2_566 . 150.9(2)
W11 O41 W10 . . 116.54(16)
W9 O42 W10 . . 96.86(14)
W9 O42 W11 . . 95.65(13)
W10 O42 W11 . . 95.01(12)
W11 O43 W9 . . 114.98(17)
W10 O44 W12 2_566 . 136.52(18)
W9 O45 W10 . . 119.05(18)
W10 O46 Na2 . . 166.1(2)
Na1 O49 Na2 . . 120.25(17)
Na3 O52 Na2 . 2_666 113.31(16)
Na4 O62 Na5 . . 112.24(17)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
W1 O1 . 1.729(4)
W1 O2 . 1.873(4)
W1 O3 . 1.859(3)
W1 O4 . 1.979(3)
W1 O5 . 2.273(3)
W1 O6 . 1.930(4)
W2 O6 . 1.882(3)
W2 O7 . 1.748(3)
W2 O8 . 2.259(4)
W2 O9 . 2.201(3)
W2 O10 . 1.754(4)
W2 O11 . 1.943(3)
W3 O8 . 2.195(3)
W3 O11 . 1.905(4)
W3 O12 . 1.743(3)
W3 O13 . 1.890(4)
W3 O14 . 1.786(3)
W3 O17 . 2.297(3)
W4 O4 2_677 1.869(3)
W4 O13 . 1.980(3)
W4 O15 . 1.748(4)
W4 O16 . 1.782(3)
W4 O17 . 2.226(4)
W4 O20 2_677 2.122(3)
W5 O2 2_677 2.071(4)
W5 O5 2_677 2.224(4)
W5 O9 . 1.796(3)
W5 O17 . 1.883(3)
W5 O18 . 1.960(3)
W5 O19 . 1.743(4)
W6 O3 2_677 2.043(3)
W6 O5 2_677 2.271(3)
W6 O8 2_677 1.923(4)
W6 O18 . 1.942(4)
W6 O20 . 1.826(3)
W6 O21 . 1.732(4)
W7 O75 . 1.746(3)
W7 O26 . 1.781(4)
W7 O31 . 1.913(4)
W7 O32 . 2.247(3)
W7 O33 . 2.174(3)
W7 O35 . 1.888(4)
W8 O33 . 2.258(4)
W8 O34 . 2.166(3)
W8 O35 . 1.961(3)
W8 O36 . 1.759(3)
W8 O37 . 1.750(4)
W8 O39 2_566 1.860(3)
W9 O25 . 1.743(4)
W9 O32 . 1.895(4)
W9 O34 . 1.797(4)
W9 O42 . 2.213(4)
W9 O43 . 2.079(4)
W9 O45 . 1.943(3)
W10 O33 2_566 1.922(4)
W10 O41 . 2.052(3)
W10 O42 . 2.268(3)
W10 O44 2_566 1.835(3)
W10 O45 . 1.947(4)
W10 O46 . 1.724(4)
W11 O38 . 1.942(3)
W11 O39 . 1.958(4)
W11 O40 . 1.719(4)
W11 O41 . 1.892(3)
W11 O42 . 2.283(3)
W11 O43 . 1.870(4)
W12 O78 . 1.743(4)
W12 O30 . 1.775(4)
W12 O31 . 1.960(3)
W12 O32 . 2.237(4)
W12 O38 . 1.879(3)
W12 O44 . 2.146(3)
Fe1 O75 2_576 2.100(3)
Fe1 O75 . 2.100(3)
Fe1 O77 2_576 2.087(4)
Fe1 O77 . 2.087(4)
Fe1 O76 2_576 2.165(4)
Fe1 O76 . 2.165(4)
Fe2 O19 . 2.108(4)
Fe2 O26 . 2.101(4)
Fe2 O27 . 2.093(4)
Fe2 O28 . 2.169(4)
Fe2 O29 . 2.136(4)
Fe2 O30 . 2.122(4)
Fe3 O14 . 2.145(3)
Fe3 O16 . 2.087(4)
Fe3 O22 . 2.145(4)
Fe3 O23 . 2.116(4)
Fe3 O24 . 2.136(3)
Fe3 O25 . 2.106(4)
Na1 O49 . 2.434(4)
Na1 O49 2_656 2.434(4)
Na1 O50 . 2.507(4)
Na1 O50 2_656 2.507(4)
Na1 O51 2_656 2.402(4)
Na1 O51 . 2.402(4)
Na2 Na3 2_666 4.194(3)
Na2 O76 1_545 2.460(4)
Na2 O46 . 2.394(4)
Na2 O47 . 2.395(4)
Na2 O48 . 2.317(4)
Na2 O49 . 2.456(5)
Na2 O52 2_666 2.606(4)
Na3 Na2 2_666 4.194(3)
Na3 O37 . 2.484(4)
Na3 O52 . 2.412(4)
Na3 O53 . 2.392(5)
Na3 O54 . 2.375(4)
Na3 O55 . 2.416(4)
Na3 O56 . 2.408(4)
Na4 Na5 . 3.996(3)
Na4 O10 2_577 2.477(4)
Na4 O58 . 2.407(5)
Na4 O59 . 2.383(4)
Na4 O60 . 2.427(4)
Na4 O62 . 2.395(4)
Na4 O67 . 2.302(11)
Na4 O167 . 2.382(13)
Na5 Na6 . 4.167(2)
Na5 O21 . 2.447(4)
Na5 O61 . 2.380(4)
Na5 O62 . 2.418(4)
Na5 O63 . 2.416(4)
Na5 O74 . 2.424(4)
Na5 O66 . 2.379(11)
Na5 O166 . 2.412(12)
Na6 Na5 2_587 4.167(2)
Na6 O64 2_587 2.344(4)
Na6 O64 . 2.344(4)
Na6 O65 . 2.404(4)
Na6 O65 2_587 2.404(4)
Na6 O66 . 2.358(11)
Na6 O66 2_587 2.358(11)
Na6 O166 2_587 2.606(11)
Na6 O166 . 2.606(11)
O2 W5 2_677 2.071(3)
O76 Na2 1_565 2.460(4)
O3 W6 2_677 2.043(3)
O4 W4 2_677 1.869(3)
O5 W5 2_677 2.224(3)
O5 W6 2_677 2.271(3)
O8 W6 2_677 1.923(4)
O10 Na4 2_577 2.477(4)
O20 W4 2_677 2.122(3)
O33 W10 2_566 1.922(4)
O39 W8 2_566 1.860(3)
O44 W10 2_566 1.835(3)
O52 Na2 2_666 2.606(4)

_cod_database_fobs_code 2021254
