#------------------------------------------------------------------------------
#$Date: 2018-10-17 05:40:08 +0300 (Wed, 17 Oct 2018) $
#$Revision: 211491 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/12/2021253.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_2021253
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          'Na4 Cu3 [W12 O40 (O H)2], 28H2 O'
_chemical_formula_moiety         'Cu3 H36 Na4 O64 W12, 4(H2 O)'
_chemical_formula_sum            'Cu3 H44 Na4 O68 W12'
_chemical_formula_weight         3621.13
_chemical_name_common            'sodium-copper(II) paratungstateB'
_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                113.7710(10)
_cell_angle_beta                 90.4430(10)
_cell_angle_gamma                112.5020(10)
_cell_formula_units_Z            1
_cell_length_a                   10.6516(5)
_cell_length_b                   12.7532(6)
_cell_length_c                   13.0730(5)
_cell_measurement_reflns_used    6027
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.95
_cell_measurement_theta_min      3.04
_cell_volume                     1473.65(11)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection       APEX3
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009) and
DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008) and
shelXle (Hübschle et al.,  2011)
;
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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  0.0475
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11292
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         2.109
_diffrn_source                   'sealed xray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    24.527
_exptl_absorpt_correction_T_max  0.0232
_exptl_absorpt_correction_T_min  0.0037
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    4.080
_exptl_crystal_description       plate
_exptl_crystal_F_000             1607
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.153
_refine_diff_density_min         -1.633
_refine_ls_extinction_coef       0.00022(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         5321
_refine_ls_number_restraints     100
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0463P)²+6.2838P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.0983
_reflns_number_gt                4720
_reflns_number_total             5321
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jr3015sup1.cif
_cod_data_source_block           ando209_p-1
_cod_database_code               2021253
_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   0.143
_shelx_estimated_absorpt_t_max   0.640
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 0.40078(5) 0.59904(4) 0.70077(4) 0.02587(13) Uani d 1 . .
W W2 0.29232(5) 0.29326(4) 0.70980(4) 0.02647(13) Uani d 1 . .
W W3 0.11342(5) 0.30259(4) 0.50852(4) 0.02644(13) Uani d 1 . .
W W4 0.36784(5) 0.55467(4) 0.25109(4) 0.02598(13) Uani d 1 . .
W W5 0.25460(5) 0.24015(4) 0.24532(4) 0.02651(13) Uani d 1 . .
W W6 0.44888(5) 0.25037(4) 0.45361(4) 0.02571(13) Uani d 1 . .
Cu Cu1 0.5000 0.5000 0.0000 0.0295(4) Uani d 1 . .
Cu Cu2 0.5000 0.0000 0.5000 0.0318(4) Uani d 1 . .
Cu Cu3 0.0000 0.0000 0.5000 0.0292(4) Uani d 1 . .
Na Na1 0.1011(5) 0.6455(5) 0.8881(4) 0.0388(11) Uani d 1 . .
Na Na2 0.2217(6) -0.0459(5) 0.6480(4) 0.0453(12) Uani d 1 . .
O O1 0.4360(8) 0.7354(7) 0.6568(6) 0.0307(17) Uani d 1 . .
O O2 0.2961(8) 0.6304(7) 0.7964(6) 0.0321(18) Uani d 1 . .
O O3 0.2806(8) 0.4797(7) 0.5682(6) 0.0274(16) Uani d 1 . .
O O4 0.4464(8) 0.4809(7) 0.7296(6) 0.0287(17) Uani d 1 . .
O O5 0.2953(7) 0.3510(7) 0.8548(6) 0.0278(16) Uani d 1 . .
O O6 0.1920(8) 0.1290(7) 0.6530(7) 0.0311(17) Uani d 1 . .
O O7 0.4689(7) 0.2862(7) 0.7099(6) 0.0265(16) Uani d 1 . .
O O8 0.1595(8) 0.3407(7) 0.6693(6) 0.0280(17) Uani d 1 . .
O O9 0.3000(7) 0.2617(7) 0.5253(6) 0.0256(16) Uani d 1 . .
O O10 0.0060(8) 0.1394(7) 0.4742(6) 0.0283(17) Uani d 1 . .
O O11 0.1443(7) 0.2788(7) 0.3603(6) 0.0273(16) Uani d 1 . .
O O12 -0.0075(8) 0.3650(7) 0.5232(6) 0.0303(17) Uani d 1 . .
O O13 0.3723(8) 0.5048(7) 0.1034(6) 0.0303(17) Uani d 1 . .
O O14 0.2479(8) 0.6201(7) 0.2670(6) 0.0292(17) Uani d 1 . .
O O15 0.2601(8) 0.3979(7) 0.2454(6) 0.0285(17) Uani d 1 . .
O O16 0.4167(8) 0.2715(7) 0.1837(6) 0.0277(17) Uani d 1 . .
O O17 0.1273(8) 0.1263(7) 0.1285(6) 0.0321(18) Uani d 1 . .
O O18 0.4261(8) 0.3860(7) 0.3991(6) 0.0270(16) Uani d 1 . .
O O19 0.2939(8) 0.1433(7) 0.3058(6) 0.0278(16) Uani d 1 . .
O O20 0.4522(8) 0.1175(7) 0.4616(6) 0.0308(17) Uani d 1 . .
O O21 0.5820(8) 0.3799(7) 0.5722(6) 0.0278(17) Uani d 1 . .
O O22 0.5004(8) 0.6562(7) -0.0030(7) 0.0322(18) Uani d 1 . .
H H22A 0.484(6) 0.641(10) -0.074(3) 0.048 Uiso d 1 . .
H H22B 0.572(9) 0.722(8) 0.045(6) 0.048 Uiso d 1 . .
O O23 0.2659(9) -0.1426(8) 0.4500(7) 0.039(2) Uani d 1 . .
O O24 0.5333(8) -0.0689(7) 0.3444(7) 0.0329(18) Uani d 1 . .
O O25 0.1090(9) -0.0398(7) 0.3744(7) 0.039(2) Uani d 1 . .
H H25A 0.110(4) -0.105(2) 0.3192(19) 0.059 Uiso d 1 . .
H H25B 0.166(10) 0.037(2) 0.392(8) 0.059 Uiso d 1 . .
O O26 0.0069(9) 0.5944(8) 0.7000(7) 0.0376(19) Uani d 1 . .
H H26A -0.0758 0.6059 0.6943 0.056 Uiso d 1 . .
H H26B -0.0175 0.5090 0.6477 0.056 Uiso d 1 . .
O O28 -0.0711(10) 0.6370(10) 1.0034(8) 0.053(3) Uani d 1 . .
H H28A -0.148(3) 0.585(9) 0.954(3) 0.080 Uiso d 1 . .
H H28B -0.056(11) 0.635(12) 1.068(7) 0.080 Uiso d 1 . .
O O29 0.2535(9) 0.6809(10) 1.0510(8) 0.047(2) Uani d 1 . .
H H29A 0.310(7) 0.654(10) 1.013(4) 0.070 Uiso d 1 . .
H H29B 0.282(10) 0.757(6) 1.107(9) 0.070 Uiso d 1 . .
O O30 0.0122(9) 0.4225(8) 0.8273(7) 0.039(2) Uani d 1 . .
H H30A 0.0498 0.3733 0.7612 0.058 Uiso d 1 . .
H H30B -0.0916 0.3696 0.7900 0.058 Uiso d 1 . .
O O31 0.2749(14) 0.1008(11) 0.8572(10) 0.072(3) Uani d 1 . .
H H31A 0.306(13) 0.060(8) 0.883(4) 0.107 Uiso d 1 . .
H H31B 0.196(6) 0.105(11) 0.867(7) 0.107 Uiso d 1 . .
O O32 0.2210(10) -0.1857(9) 0.7127(9) 0.051(2) Uani d 1 . .
H H32A 0.150(6) -0.252(9) 0.712(13) 0.077 Uiso d 1 . .
H H32B 0.305(4) -0.174(11) 0.736(14) 0.077 Uiso d 1 . .
O O27 0.158(3) 0.860(3) 0.922(2) 0.057(5) Uani d 0.5 A 1
H H27A 0.246(5) 0.904(6) 0.946(10) 0.086 Uiso d 0.5 B 1
H H27B 0.113(6) 0.858(6) 0.865(4) 0.086 Uiso d 0.5 C 1
O O27B 0.119(3) 0.853(3) 0.960(2) 0.057(5) Uani d 0.5 A 2
H H27C 0.0694 0.8626 0.9158 0.086 Uiso d 0.5 A 2
H H27D 0.2008 0.9067 0.9675 0.086 Uiso d 0.5 A 2
O O35 0.3779(17) -0.0594(14) 0.1911(10) 0.097(5) Uani d 1 . .
H H35A 0.4125 -0.0615 0.2488 0.145 Uiso d 1 . .
H H35B 0.3375 -0.0105 0.2126 0.145 Uiso d 1 . .
O O33 0.004(6) 0.884(4) 1.035(4) 0.057(5) Uani d 0.2 D 1
H H33A 0.07(5) 0.951(12) 1.09(4) 0.086 Uiso d 0.2 E 1
H H33B -0.012(17) 0.808(8) 1.027(16) 0.086 Uiso d 0.2 F 1
O O34 -0.0162(12) -0.1184(11) 0.1541(9) 0.050(3) Uani d 0.8 G 2
H H34A 0.0167 -0.0472 0.2126 0.075 Uiso d 0.8 G 2
H H34B -0.0554 -0.1769 0.1746 0.075 Uiso d 0.8 G 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 '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
O1 W1 O16 . 2_666 82.4(3)
O1 W1 O18 . 2_666 70.2(3)
O2 W1 O1 . . 99.5(3)
O2 W1 O3 . . 104.1(4)
O2 W1 O4 . . 102.2(3)
O2 W1 O16 . 2_666 94.8(3)
O2 W1 O18 . 2_666 164.6(3)
O3 W1 O1 . . 93.2(3)
O3 W1 O4 . . 94.1(3)
O3 W1 O16 . 2_666 161.1(3)
O3 W1 O18 . 2_666 88.3(3)
O4 W1 O1 . . 154.6(3)
O4 W1 O16 . 2_666 82.8(3)
O4 W1 O18 . 2_666 85.7(3)
O16 W1 O18 2_666 2_666 72.9(3)
O4 W2 O9 . . 77.3(3)
O5 W2 O4 . . 91.7(3)
O5 W2 O6 . . 105.6(3)
O5 W2 O7 . . 98.5(3)
O5 W2 O8 . . 98.8(3)
O5 W2 O9 . . 167.4(3)
O6 W2 O4 . . 161.2(3)
O6 W2 O7 . . 96.2(3)
O6 W2 O8 . . 99.2(3)
O6 W2 O9 . . 86.2(3)
O7 W2 O4 . . 73.6(3)
O7 W2 O9 . . 84.4(3)
O8 W2 O4 . . 85.1(3)
O8 W2 O7 . . 152.8(3)
O8 W2 O9 . . 74.4(3)
O3 W3 Na2 . 2_556 159.2(2)
O3 W3 O9 . . 76.3(3)
O8 W3 Na2 . 2_556 115.9(2)
O8 W3 O3 . . 79.4(3)
O8 W3 O9 . . 73.4(3)
O9 W3 Na2 . 2_556 120.3(2)
O10 W3 Na2 . 2_556 37.5(3)
O10 W3 O3 . . 163.0(3)
O10 W3 O8 . . 90.7(3)
O10 W3 O9 . . 87.7(3)
O10 W3 O11 . . 97.4(3)
O11 W3 Na2 . 2_556 82.2(2)
O11 W3 O3 . . 87.2(3)
O11 W3 O8 . . 157.1(3)
O11 W3 O9 . . 85.5(3)
O12 W3 Na2 . 2_556 71.8(3)
O12 W3 O3 . . 93.1(3)
O12 W3 O8 . . 97.5(3)
O12 W3 O9 . . 167.0(3)
O12 W3 O10 . . 101.9(4)
O12 W3 O11 . . 101.7(3)
O7 W4 O4 2_666 2_666 72.8(3)
O7 W4 O21 2_666 2_666 79.7(3)
O13 W4 O4 . 2_666 88.2(3)
O13 W4 O7 . 2_666 91.2(3)
O13 W4 O15 . . 98.3(3)
O13 W4 O21 . 2_666 164.6(3)
O14 W4 O4 . 2_666 164.9(3)
O14 W4 O7 . 2_666 95.4(3)
O14 W4 O13 . . 101.8(3)
O14 W4 O15 . . 101.3(3)
O14 W4 O21 . 2_666 91.5(3)
O15 W4 O4 . 2_666 88.2(3)
O15 W4 O7 . 2_666 158.6(3)
O15 W4 O21 . 2_666 86.6(3)
O21 W4 O4 2_666 2_666 77.3(3)
O11 W5 O15 . . 81.1(3)
O11 W5 O18 . . 80.1(3)
O15 W5 O18 . . 80.2(3)
O16 W5 O11 . . 154.7(3)
O16 W5 O15 . . 86.7(3)
O16 W5 O18 . . 76.0(3)
O17 W5 O11 . . 100.9(3)
O17 W5 O15 . . 101.6(3)
O17 W5 O16 . . 103.2(3)
O17 W5 O18 . . 178.1(3)
O17 W5 O19 . . 102.1(3)
O19 W5 O11 . . 89.2(3)
O19 W5 O15 . . 155.7(3)
O19 W5 O16 . . 93.1(3)
O19 W5 O18 . . 76.2(3)
O1 W6 O18 2_666 . 72.0(3)
O1 W6 O19 2_666 . 81.2(3)
O9 W6 O1 . 2_666 154.3(3)
O9 W6 O18 . . 84.3(3)
O9 W6 O19 . . 82.9(3)
O19 W6 O18 . . 73.4(3)
O20 W6 O1 . 2_666 100.5(3)
O20 W6 O9 . . 100.5(3)
O20 W6 O18 . . 166.0(3)
O20 W6 O19 . . 94.0(3)
O20 W6 O21 . . 102.8(4)
O21 W6 O1 . 2_666 93.7(3)
O21 W6 O9 . . 95.7(3)
O21 W6 O18 . . 89.6(3)
O21 W6 O19 . . 163.0(3)
O5 Cu1 O5 2_666 1_554 180.0(4)
O13 Cu1 O5 2_665 1_554 95.3(3)
O13 Cu1 O5 . 1_554 84.7(3)
O13 Cu1 O5 . 2_666 95.3(3)
O13 Cu1 O5 2_665 2_666 84.7(3)
O13 Cu1 O13 . 2_665 180.0
O13 Cu1 O22 2_665 2_665 89.8(3)
O13 Cu1 O22 . 2_665 90.2(3)
O13 Cu1 O22 2_665 . 90.2(3)
O13 Cu1 O22 . . 89.8(3)
O22 Cu1 O5 . 1_554 96.7(3)
O22 Cu1 O5 2_665 2_666 96.7(3)
O22 Cu1 O5 . 2_666 83.3(3)
O22 Cu1 O5 2_665 1_554 83.3(3)
O22 Cu1 O22 . 2_665 180.0
Na2 Cu2 Na2 2_656 . 180.0
O20 Cu2 Na2 . 2_656 89.6(2)
O20 Cu2 Na2 . . 90.4(2)
O20 Cu2 Na2 2_656 2_656 90.4(2)
O20 Cu2 Na2 2_656 . 89.6(2)
O20 Cu2 O20 . 2_656 180.00(15)
O20 Cu2 O23 . . 90.5(3)
O20 Cu2 O23 . 2_656 89.5(3)
O20 Cu2 O23 2_656 . 89.5(3)
O20 Cu2 O23 2_656 2_656 90.5(3)
O23 Cu2 Na2 2_656 2_656 45.2(2)
O23 Cu2 Na2 2_656 . 134.8(2)
O23 Cu2 Na2 . . 45.2(2)
O23 Cu2 Na2 . 2_656 134.8(2)
O23 Cu2 O23 2_656 . 180.0
O24 Cu2 Na2 . . 138.9(2)
O24 Cu2 Na2 . 2_656 41.1(2)
O24 Cu2 Na2 2_656 2_656 138.9(2)
O24 Cu2 Na2 2_656 . 41.1(2)
O24 Cu2 O20 . . 87.1(3)
O24 Cu2 O20 . 2_656 92.9(3)
O24 Cu2 O20 2_656 2_656 87.1(3)
O24 Cu2 O20 2_656 . 92.9(3)
O24 Cu2 O23 . . 93.9(3)
O24 Cu2 O23 2_656 2_656 93.9(3)
O24 Cu2 O23 . 2_656 86.1(3)
O24 Cu2 O23 2_656 . 86.1(3)
O24 Cu2 O24 2_656 . 180.0
Na2 Cu3 Na2 . 2_556 180.0
O6 Cu3 Na2 2_556 2_556 43.6(2)
O6 Cu3 Na2 . . 43.6(2)
O6 Cu3 Na2 . 2_556 136.4(2)
O6 Cu3 Na2 2_556 . 136.4(2)
O6 Cu3 O6 . 2_556 180.0(3)
O10 Cu3 Na2 . . 134.8(2)
O10 Cu3 Na2 . 2_556 45.2(2)
O10 Cu3 Na2 2_556 2_556 134.8(2)
O10 Cu3 Na2 2_556 . 45.2(2)
O10 Cu3 O6 2_556 . 86.7(3)
O10 Cu3 O6 2_556 2_556 93.3(3)
O10 Cu3 O6 . . 93.3(3)
O10 Cu3 O6 . 2_556 86.7(3)
O10 Cu3 O10 . 2_556 180.0
O10 Cu3 O25 . . 89.1(3)
O10 Cu3 O25 . 2_556 90.9(3)
O10 Cu3 O25 2_556 . 90.9(3)
O10 Cu3 O25 2_556 2_556 89.1(3)
O25 Cu3 Na2 . . 85.0(3)
O25 Cu3 Na2 2_556 2_556 85.0(3)
O25 Cu3 Na2 . 2_556 95.0(3)
O25 Cu3 Na2 2_556 . 95.0(3)
O25 Cu3 O6 2_556 2_556 96.9(3)
O25 Cu3 O6 2_556 . 83.1(3)
O25 Cu3 O6 . . 96.9(3)
O25 Cu3 O6 . 2_556 83.1(3)
O25 Cu3 O25 . 2_556 180.0(4)
O2 Na1 O29 . . 81.7(3)
O26 Na1 O2 . . 80.5(3)
O26 Na1 O28 . . 111.0(4)
O26 Na1 O29 . . 161.9(4)
O26 Na1 O30 . . 86.2(3)
O26 Na1 O27 . . 84.4(8)
O28 Na1 O2 . . 165.5(4)
O28 Na1 O29 . . 86.1(3)
O28 Na1 O30 . . 84.9(4)
O28 Na1 O27 . . 94.3(6)
O30 Na1 O2 . . 87.1(3)
O30 Na1 O29 . . 89.7(4)
O30 Na1 O27 . . 169.6(9)
O27 Na1 O2 . . 95.8(7)
O27 Na1 O29 . . 100.6(9)
O27B Na1 O2 . . 110.2(7)
O27B Na1 O26 . . 92.8(8)
O27B Na1 O28 . . 78.9(6)
O27B Na1 O29 . . 96.3(9)
O27B Na1 O30 . . 162.2(8)
Cu2 Na2 W3 . 2_556 118.32(15)
Cu3 Na2 W3 . 2_556 60.12(9)
Cu3 Na2 Cu2 . . 100.18(13)
O6 Na2 W3 . 2_556 101.7(3)
O6 Na2 Cu2 . . 93.5(2)
O6 Na2 Cu3 . . 44.0(2)
O6 Na2 O10 . 2_556 76.0(3)
O6 Na2 O23 . . 102.4(3)
O6 Na2 O24 . 2_656 87.4(3)
O6 Na2 O31 . . 76.2(4)
O10 Na2 W3 2_556 2_556 26.54(17)
O10 Na2 Cu2 2_556 . 113.4(2)
O10 Na2 Cu3 2_556 . 33.59(18)
O10 Na2 O23 2_556 . 76.4(3)
O10 Na2 O31 2_556 . 123.3(4)
O23 Na2 W3 . 2_556 77.0(2)
O23 Na2 Cu2 . . 41.4(2)
O23 Na2 Cu3 . . 79.5(2)
O23 Na2 O31 . . 158.1(4)
O24 Na2 W3 2_656 2_556 150.1(3)
O24 Na2 Cu2 2_656 . 32.0(2)
O24 Na2 Cu3 2_656 . 115.8(2)
O24 Na2 O10 2_656 2_556 141.2(3)
O24 Na2 O23 2_656 . 73.3(3)
O24 Na2 O31 2_656 . 84.8(4)
O31 Na2 W3 . 2_556 125.0(4)
O31 Na2 Cu2 . . 116.7(4)
O31 Na2 Cu3 . . 111.2(3)
O32 Na2 W3 . 2_556 80.5(3)
O32 Na2 Cu2 . . 106.6(3)
O32 Na2 Cu3 . . 139.6(3)
O32 Na2 O6 . . 156.0(4)
O32 Na2 O10 . 2_556 106.6(4)
O32 Na2 O23 . . 101.3(4)
O32 Na2 O24 . 2_656 102.6(4)
O32 Na2 O31 . . 83.0(4)
W6 O1 W1 2_666 . 119.2(4)
W1 O2 Na1 . . 165.1(4)
W1 O3 W3 . . 138.3(4)
W1 O4 W2 . . 124.5(4)
W1 O4 W4 . 2_666 138.3(4)
W4 O4 W2 2_666 . 95.7(3)
W2 O5 Cu1 . 1_556 124.8(4)
W2 O6 Cu3 . . 128.5(4)
W2 O6 Na2 . . 136.6(4)
Na2 O6 Cu3 . . 92.4(3)
W2 O7 W4 . 2_666 116.8(4)
W2 O8 W3 . . 118.1(4)
W3 O9 W2 . . 93.0(3)
W6 O9 W2 . . 124.6(4)
W6 O9 W3 . . 140.5(4)
W3 O10 Cu3 . . 142.8(4)
W3 O10 Na2 . 2_556 116.0(4)
Cu3 O10 Na2 . 2_556 101.2(3)
W3 O11 W5 . . 147.9(4)
W4 O13 Cu1 . . 141.2(5)
W4 O15 W5 . . 147.1(4)
W5 O16 W1 . 2_666 115.9(3)
W1 O18 W5 2_666 . 95.2(3)
W6 O18 W1 . 2_666 96.7(3)
W6 O18 W5 . . 96.3(3)
W5 O19 W6 . . 114.1(4)
W6 O20 Cu2 . . 165.2(5)
W6 O21 W4 . 2_666 138.5(4)
Cu2 O23 Na2 . . 93.5(3)
Cu2 O24 Na2 . 2_656 107.0(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
W1 O1 . 1.951(7)
W1 O2 . 1.710(8)
W1 O3 . 1.818(7)
W1 O4 . 1.914(7)
W1 O16 2_666 2.067(8)
W1 O18 2_666 2.260(8)
W2 O4 . 2.230(7)
W2 O5 . 1.730(7)
W2 O6 . 1.762(8)
W2 O7 . 1.917(7)
W2 O8 . 1.884(8)
W2 O9 . 2.287(7)
W3 Na2 2_556 3.632(5)
W3 O3 . 2.088(7)
W3 O8 . 1.968(7)
W3 O9 . 2.268(8)
W3 O10 . 1.805(7)
W3 O11 . 1.888(7)
W3 O12 . 1.730(8)
W4 O4 2_666 2.226(8)
W4 O7 2_666 1.963(7)
W4 O13 . 1.780(7)
W4 O14 . 1.747(8)
W4 O15 . 1.855(7)
W4 O21 2_666 2.098(7)
W5 O11 . 1.938(7)
W5 O15 . 1.990(7)
W5 O16 . 1.882(8)
W5 O17 . 1.718(8)
W5 O18 . 2.273(7)
W5 O19 . 1.872(7)
W6 O1 2_666 1.920(8)
W6 O9 . 1.872(7)
W6 O18 . 2.207(7)
W6 O19 . 2.103(7)
W6 O20 . 1.753(8)
W6 O21 . 1.803(7)
Cu1 O5 1_554 2.413(7)
Cu1 O5 2_666 2.413(7)
Cu1 O13 . 1.926(8)
Cu1 O13 2_665 1.926(8)
Cu1 O22 . 2.007(8)
Cu1 O22 2_665 2.007(8)
Cu2 Na2 . 3.542(6)
Cu2 Na2 2_656 3.542(6)
Cu2 O20 . 1.985(8)
Cu2 O20 2_656 1.985(8)
Cu2 O23 . 2.345(8)
Cu2 O23 2_656 2.345(8)
Cu2 O24 . 1.961(8)
Cu2 O24 2_656 1.961(8)
Cu3 Na2 . 3.400(5)
Cu3 Na2 2_556 3.400(5)
Cu3 O6 . 2.366(8)
Cu3 O6 2_556 2.366(8)
Cu3 O10 . 1.918(7)
Cu3 O10 2_556 1.918(7)
Cu3 O25 2_556 2.027(8)
Cu3 O25 . 2.027(8)
Na1 O2 . 2.439(9)
Na1 O26 . 2.376(9)
Na1 O28 . 2.380(10)
Na1 O29 . 2.446(11)
Na1 O30 . 2.392(10)
Na1 O27 . 2.41(3)
Na1 O27B . 2.35(3)
Na2 W3 2_556 3.632(5)
Na2 O6 . 2.345(9)
Na2 O10 2_556 2.459(9)
Na2 O23 . 2.516(10)
Na2 O24 2_656 2.432(10)
Na2 O31 . 2.519(13)
Na2 O32 . 2.260(10)
O1 W6 2_666 1.920(8)
O4 W4 2_666 2.226(8)
O5 Cu1 1_556 2.413(7)
O7 W4 2_666 1.963(7)
O10 Na2 2_556 2.459(9)
O16 W1 2_666 2.067(7)
O18 W1 2_666 2.260(8)
O21 W4 2_666 2.098(7)
O24 Na2 2_656 2.432(10)

_cod_database_fobs_code 2021253
