#------------------------------------------------------------------------------
#$Date: 2019-12-14 02:16:41 +0200 (Sat, 14 Dec 2019) $
#$Revision: 245118 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/37/4133773.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4133773
loop_
_publ_author_name
'Chen, Linfeng'
'San, Khin A.'
'Turo, Michael J.'
'Gembicky, Milan'
'Fereidouni, Shelir'
'Kalaj, Mark'
'Schimpf, Alina M.'
_publ_section_title
;
 Tunable Metal Oxide Frameworks via Coordination Assembly of
 Preyssler-Type Molecular Clusters.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.9b10277
_journal_year                    2019
_chemical_formula_moiety
'0.13(Fe28 K22 Li8 Na10 O1002.67 P40 W240), 3(O)'
_chemical_formula_sum            'Fe3.5 K2.75 Li Na1.25 O128.33 P5 W30'
_chemical_formula_weight         8062.37
_space_group_crystal_system      orthorhombic
_space_group_IT_number           74
_space_group_name_Hall           '-I 2b 2'
_space_group_name_H-M_alt        'I m m a'
_audit_creation_date             2019-08-07
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   52.178(3)
_cell_length_b                   21.6024(12)
_cell_length_c                   26.1423(16)
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.60
_cell_measurement_theta_min      2.16
_cell_volume                     29467(3)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'APEX2 v2013.6-2 (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX CCD'
_diffrn_detector_area_resol_mean 8.0
_diffrn_detector_type            'CCD Area Detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'Kappa Four-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker X8 APEX'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1002
_diffrn_reflns_av_unetI/netI     0.0939
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       65
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            81170
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.685
_diffrn_reflns_theta_min         1.223
_diffrn_source                   'sealed tube'
_diffrn_source_type              fine-focus
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    23.877
_exptl_absorpt_correction_T_max  0.2594
_exptl_absorpt_correction_T_min  0.1489
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1106 before and 0.0739 after correction. The Ratio of minimum to maximum transmission is 0.5740. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    3.635
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             27853
_exptl_crystal_size_max          0.048
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.031
_refine_diff_density_max         3.866
_refine_diff_density_min         -3.673
_refine_diff_density_rms         0.479
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     977
_refine_ls_number_reflns         16100
_refine_ls_number_restraints     1587
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1181
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0460P)²+5942.9971P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1579
_refine_ls_wR_factor_ref         0.1784
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10440
_reflns_number_total             16100
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b10277_si_003.cif
_cod_data_source_block           FeImma
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_formula_sum        'Fe3.50 K2.75 Li Na1.25 O128.33 P5 W30'
_cod_database_code               4133773
_shelx_shelxl_version_number     2016/6
_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_max   0.634
_shelx_estimated_absorpt_t_min   0.364
_olex2_refinement_description
;
1. Shared sites
{K2B, Li1}
2. Uiso/Uaniso restraints and constraints
Uanis(Na1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Na3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O6DA) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(Fe4B) = Uanis(Fe4A)
Uanis(Fe1) = Uanis(Fe5)
Uanis(Fe3) = Uanis(Fe1)
Uanis(K2B) = Uanis(Li1)
Uanis(O43) = Uanis(O2BA) = Uanis(Fe4A) = Uanis(Fe4B)
Uanis(O81) = Uanis(O0CA)
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Others
 Sof(Fe4B)=0.25*(1-FVAR(2))
 Sof(Fe4A)=0.25*FVAR(2)
 Sof(Fe5)=1-FVAR(2)
 Sof(Fe1)=FVAR(2)
 Fixed Sof: W14(0.5) W14B(0.5) W15(0.5) W15B(0.5) W16(0.5) Fe3(0.1) Fe2A(0.2)
 Fe2B(0.2) K0AA(0.375) K2B(0.5) Na3(0.125) P4(0.25) P4B(0.25) P5(0.25)
 P5B(0.25) P6(0.25) Na1(0.25) Na2(0.25) O0CA(0.25) O2BA(0.25) O6DA(0.25)
 O40(0.5) O41(0.33333) O42(0.33333) O43(0.25) O44(0.5) O69(0.5) O70(0.5)
 O71(0.5) O72(0.5) O73(0.5) O74(0.5) O75(0.5) O76(0.5) O77(0.5) O79(0.5)
 O81(0.25) O82(0.5) O83(0.5) O84(0.5) O85(0.5) O86(0.5) O87(0.5) Li1(0.5)
 O7A(0.25) O3AA(0.25)
;
_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z'
'-x, y+1/2, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'x, -y-1/2, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.53649(2) 0.32643(5) 0.50882(4) 0.0347(3) Uani 1 1 d . U . . .
W2 W 0.53585(2) 0.40608(4) 0.38446(4) 0.0189(2) Uani 1 1 d . U . . .
W3 W 0.59471(2) 0.32632(5) 0.42449(5) 0.0342(3) Uani 1 1 d . U . . .
W4 W 0.55747(2) 0.40593(4) 0.24839(4) 0.0189(2) Uani 1 1 d . U . . .
W5 W 0.61692(2) 0.32638(5) 0.28638(5) 0.0352(3) Uani 1 1 d . U . . .
W6 W 0.59507(2) 0.32640(5) 0.14962(5) 0.0354(3) Uani 1 1 d . U . . .
W7 W 0.53607(2) 0.32648(5) 0.06390(4) 0.0378(3) Uani 1 1 d . U . . .
W8 W 0.500000 0.40778(6) 0.16371(5) 0.0203(3) Uani 1 2 d S TU P . .
W9 W 0.63544(2) 0.67378(5) 0.29666(5) 0.0374(3) Uani 1 1 d . U . . .
W10 W 0.64346(2) 0.67371(5) 0.15273(5) 0.0381(3) Uani 1 1 d . U . . .
W11 W 0.69225(3) 0.67360(5) 0.04606(4) 0.0390(3) Uani 1 1 d . U . . .
W12 W 0.76330(3) 0.67372(5) 0.01791(4) 0.0410(3) Uani 1 1 d . U . . .
W13 W 0.82900(2) 0.67339(5) 0.07770(5) 0.0375(3) Uani 1 1 d . U . . .
W14 W 0.80224(4) 0.59376(9) 0.19063(7) 0.0204(4) Uani 0.5 1 d . U . A 1
W14B W 0.77548(4) 0.59333(9) 0.13978(8) 0.0220(4) Uani 0.5 1 d . U . A 2
W15 W 0.73736(4) 0.59393(9) 0.13104(8) 0.0226(4) Uani 0.5 1 d . U . A 1
W15B W 0.70526(4) 0.59358(9) 0.16732(8) 0.0196(4) Uani 0.5 1 d . U . A 2
W16 W 0.68923(4) 0.59358(9) 0.23627(8) 0.0234(4) Uani 0.5 1 d . U . A 1
Fe1 Fe 0.58623(13) 0.5567(3) 0.2767(3) 0.0653(17) Uani 0.763(8) 1 d . U . B 1
Fe5 Fe 0.6281(4) 0.4906(10) 0.2039(10) 0.0653(17) Uani 0.237(8) 1 d . U . A 2
Fe3 Fe 0.6292(10) 0.443(2) 0.505(2) 0.0653(17) Uani 0.1 1 d . U . . .
Fe4B Fe 0.6650(8) 0.4393(19) 0.2629(19) 0.045(3) Uani 0.100(7) 1 d . U . A 2
Fe4A Fe 0.6685(6) 0.4457(13) 0.3022(13) 0.045(3) Uani 0.150(7) 1 d . U . A 1
Fe2A Fe 0.7725(5) 0.4455(9) 0.0820(10) 0.050(4) Uani 0.2 1 d . U . A .
Fe2B Fe 0.7515(5) 0.4397(10) 0.0788(8) 0.043(4) Uani 0.2 1 d . U . A .
K0AA K 0.8972(4) 0.750000 0.0625(9) 0.105(6) Uani 0.75 2 d S TU P . .
K2 K 0.6121(2) 0.500000 0.000000 0.065(3) Uani 1 2 d S TU P . .
K2B K 0.6579(4) 0.4945(12) 0.0783(7) 0.123(6) Uani 0.5 1 d . U . A 2
Na3 Na 0.5487(9) 0.500000 0.500000 0.023(5) Uani 0.25 2 d S TU P . .
P1 P 0.53927(16) 0.250000 0.3947(3) 0.0172(15) Uani 1 2 d S TU P . .
P2 P 0.56383(15) 0.250000 0.2454(3) 0.0164(15) Uani 1 2 d S TU P . .
P3 P 0.500000 0.250000 0.1537(5) 0.019(2) Uani 1 4 d S TU P . .
P4 P 0.6834(3) 0.750000 0.2348(7) 0.020(2) Uani 0.5 2 d S TU P A 1
P4B P 0.7007(3) 0.750000 0.1591(7) 0.022(3) Uani 0.5 2 d S TU P A 2
P5 P 0.7362(3) 0.750000 0.1203(6) 0.020(2) Uani 0.5 2 d S TU P A 1
P5B P 0.7778(3) 0.750000 0.1288(6) 0.021(3) Uani 0.5 2 d S TU P A 2
P6 P 0.8073(3) 0.750000 0.1842(6) 0.019(3) Uani 0.5 2 d S TU P A 1
Na1 Na 0.500000 0.3119(13) 0.2862(9) 0.022(3) Uani 0.5 2 d S TU P . .
Na2 Na 0.750000 0.6807(12) 0.250000 0.019(3) Uani 0.5 2 d S TU P . .
O0CA O 0.646(2) 0.475(5) 0.037(4) 0.079(7) Uani 0.25 1 d . U . A 2
O1 O 0.5414(5) 0.250000 0.5462(9) 0.037(3) Uani 1 2 d S TU P . .
O1BA O 0.4764(4) 0.250000 0.1178(8) 0.022(4) Uani 1 2 d S TU P . .
O2 O 0.500000 0.3206(11) 0.5197(8) 0.031(3) Uani 1 2 d S TU P . .
O2BA O 0.6928(15) 0.405(3) 0.295(3) 0.045(3) Uani 0.25 1 d . U . . .
O3 O 0.5429(4) 0.3788(8) 0.5564(6) 0.037(3) Uani 1 1 d . U . . .
O5 O 0.5716(3) 0.3215(8) 0.4823(6) 0.032(2) Uani 1 1 d . U . . .
O6 O 0.5301(3) 0.3811(7) 0.4540(6) 0.024(2) Uani 1 1 d . U . . .
O6DA O 0.6602(16) 0.404(4) 0.201(3) 0.048(5) Uani 0.25 1 d . U . . .
O7 O 0.5305(4) 0.250000 0.4509(8) 0.024(3) Uani 1 2 d S TU P . .
O8 O 0.5293(3) 0.3077(7) 0.3682(6) 0.018(2) Uani 1 1 d . U . . .
O9 O 0.500000 0.4111(10) 0.3726(8) 0.020(3) Uani 1 2 d S TU P . .
O10 O 0.5687(4) 0.250000 0.3958(8) 0.022(3) Uani 1 2 d S TU P . .
O11 O 0.5702(3) 0.3790(7) 0.3951(6) 0.025(2) Uani 1 1 d . U . . .
O12 O 0.5405(3) 0.4835(7) 0.3964(6) 0.024(3) Uani 1 1 d . U . . .
O13 O 0.5414(3) 0.4097(7) 0.3140(6) 0.020(2) Uani 1 1 d . U . . .
O14 O 0.6098(4) 0.250000 0.4474(9) 0.029(4) Uani 1 2 d S TU P . .
O15 O 0.6158(3) 0.3769(8) 0.4519(8) 0.039(4) Uani 1 1 d . U . . .
O16 O 0.6109(3) 0.3190(8) 0.3580(6) 0.028(4) Uiso 1 1 d . U . . .
O17 O 0.6364(4) 0.250000 0.2866(11) 0.039(6) Uani 1 2 d S TU P . .
O18 O 0.5875(4) 0.250000 0.2796(8) 0.014(3) Uani 1 2 d S TU P . .
O19 O 0.6423(3) 0.3774(8) 0.2902(7) 0.038(3) Uani 1 1 d . U . . .
O20 O 0.6154(3) 0.3232(7) 0.2109(5) 0.019(3) Uiso 1 1 d . U . . .
O21 O 0.5892(3) 0.3800(6) 0.2832(6) 0.018(2) Uani 1 1 d . U . . .
O22 O 0.5657(3) 0.4841(7) 0.2450(7) 0.030(3) Uani 1 1 d . U . . .
O23 O 0.5255(3) 0.4121(7) 0.2172(6) 0.020(2) Uani 1 1 d . U . . .
O24 O 0.5740(3) 0.3803(7) 0.1856(6) 0.022(2) Uani 1 1 d . U . . .
O25 O 0.6150(4) 0.3772(8) 0.1179(7) 0.037(4) Uani 1 1 d . U . . .
O26 O 0.6100(4) 0.250000 0.1276(8) 0.024(4) Uani 1 2 d S TU P . .
O27 O 0.5731(4) 0.250000 0.1899(8) 0.019(3) Uani 1 2 d S TU P . .
O28 O 0.5482(3) 0.3089(6) 0.2545(5) 0.0142(19) Uani 1 1 d . U . . .
O29 O 0.5249(3) 0.3816(7) 0.1162(6) 0.021(3) Uani 1 1 d . U . . .
O30 O 0.5685(3) 0.3215(7) 0.0973(6) 0.031(3) Uani 1 1 d . U . . .
O31 O 0.5455(3) 0.3793(8) 0.0166(6) 0.033(3) Uani 1 1 d . U . . .
O32 O 0.5421(5) 0.250000 0.0290(10) 0.039(4) Uani 1 2 d S TU P . .
O33 O 0.500000 0.3218(10) 0.0432(9) 0.031(4) Uani 1 2 d S TU P . .
O34 O 0.500000 0.4858(10) 0.1458(9) 0.026(4) Uani 1 2 d S TU P . .
O35 O 0.500000 0.3084(9) 0.1860(7) 0.013(3) Uani 1 2 d S TU P . .
O36 O 0.5621(5) 0.5826(11) 0.3397(9) 0.068(7) Uiso 1 1 d . U . . .
O37 O 0.6003(7) 0.4935(13) 0.3369(13) 0.119(10) Uani 1 1 d . U . . .
O38 O 0.6105(3) 0.6251(9) 0.3055(9) 0.054(4) Uani 1 1 d . U . . .
O39 O 0.6125(5) 0.5388(12) 0.2134(13) 0.092(5) Uani 1 1 d . U . . .
O40 O 0.5680(9) 0.622(2) 0.2223(17) 0.059(12) Uiso 0.5 1 d . U . . .
O41 O 0.5671(16) 0.496(3) 0.091(3) 0.072(15) Uani 0.3333 1 d . U . A .
O42 O 0.607(2) 0.595(3) 0.027(3) 0.117(17) Uani 0.3333 1 d . U . A .
O43 O 0.6913(15) 0.404(3) 0.343(3) 0.045(3) Uani 0.25 1 d . U . A .
O44 O 0.6813(7) 0.5175(15) 0.2346(15) 0.038(5) Uani 0.5 1 d . U . . .
O45 O 0.6627(3) 0.6193(7) 0.2869(7) 0.032(3) Uani 1 1 d . U . . .
O46 O 0.6462(3) 0.6793(7) 0.3667(7) 0.030(3) Uani 1 1 d . U . . .
O47 O 0.6165(4) 0.750000 0.3041(11) 0.038(4) Uani 1 2 d S TU P . .
O48 O 0.6321(3) 0.6806(8) 0.2232(8) 0.040(3) Uani 1 1 d . U . . .
O49 O 0.6639(4) 0.750000 0.2842(9) 0.027(3) Uani 1 2 d S TU P . .
O50 O 0.6703(4) 0.750000 0.1772(9) 0.031(3) Uani 1 2 d S TU P . .
O51 O 0.6689(3) 0.6198(8) 0.1753(7) 0.033(2) Uani 1 1 d . U . . .
O52 O 0.6201(3) 0.6234(8) 0.1313(7) 0.039(4) Uani 1 1 d . U . . .
O53 O 0.6263(5) 0.750000 0.1372(11) 0.040(4) Uani 1 2 d S TU P . .
O54 O 0.6626(4) 0.6795(8) 0.0876(7) 0.039(3) Uani 1 1 d . U . . .
O55 O 0.7057(3) 0.6197(8) 0.0951(6) 0.031(2) Uani 1 1 d . U . . .
O56 O 0.7067(5) 0.750000 0.0978(9) 0.029(3) Uani 1 2 d S TU P . .
O57 O 0.6827(5) 0.750000 0.0132(9) 0.033(4) Uani 1 2 d S TU P . .
O58 O 0.6801(4) 0.6241(8) 0.0011(7) 0.039(4) Uani 1 1 d . U . . .
O59 O 0.7258(3) 0.6785(8) 0.0176(6) 0.034(4) Uiso 1 1 d . U . . .
O60 O 0.7668(4) 0.6251(8) -0.0328(7) 0.041(4) Uani 1 1 d . U . . .
O61 O 0.7654(5) 0.750000 -0.0199(9) 0.034(4) Uani 1 2 d S TU P . .
O62 O 0.7594(5) 0.750000 0.0772(9) 0.029(3) Uani 1 2 d S TU P . .
O63 O 0.7601(3) 0.6187(8) 0.0730(6) 0.031(2) Uani 1 1 d . U . . .
O64 O 0.8002(4) 0.6791(7) 0.0343(7) 0.037(2) Uani 1 1 d . U . . .
O65 O 0.8460(4) 0.6238(8) 0.0407(7) 0.037(4) Uani 1 1 d . U . . .
O66 O 0.8423(5) 0.750000 0.0518(8) 0.031(3) Uani 1 2 d S TU P . .
O67 O 0.8098(4) 0.750000 0.1210(8) 0.025(3) Uani 1 2 d S TU P . .
O68 O 0.8107(3) 0.6186(8) 0.1194(6) 0.030(2) Uani 1 1 d . U . . .
O69 O 0.7932(5) 0.6910(13) 0.1997(11) 0.017(3) Uani 0.5 1 d . U . A 1
O70 O 0.8085(7) 0.5149(15) 0.1821(13) 0.032(7) Uani 0.5 1 d . U . . .
O71 O 0.7674(6) 0.5915(14) 0.1693(13) 0.022(3) Uani 0.5 1 d . U . A 1
O72 O 0.7789(6) 0.5164(14) 0.1260(13) 0.027(4) Uani 0.5 1 d . U . . .
O73 O 0.7387(6) 0.6928(13) 0.1516(11) 0.018(2) Uani 0.5 1 d . U . A 1
O74 O 0.7165(6) 0.5895(15) 0.1901(13) 0.022(3) Uani 0.5 1 d . U . A 1
O75 O 0.7371(7) 0.5167(15) 0.1157(12) 0.034(4) Uani 0.5 1 d . U . . .
O76 O 0.6985(6) 0.6909(13) 0.2395(12) 0.020(3) Uani 0.5 1 d . U . A 1
O77 O 0.7638(10) 0.3993(17) 0.1370(17) 0.062(8) Uani 0.5 1 d . U . . .
O79 O 0.9329(9) 0.713(3) 0.145(2) 0.098(13) Uani 0.5 1 d . U . . .
O80 O 0.9011(4) 0.6203(14) 0.0766(8) 0.084(7) Uani 1 1 d . U . . .
O81 O 0.633(2) 0.477(5) 0.066(4) 0.079(7) Uani 0.25 1 d . U . A 1
O82 O 0.7130(6) 0.6908(13) 0.1818(11) 0.018(3) Uani 0.5 1 d . U . A 2
O83 O 0.7706(6) 0.6920(13) 0.1574(11) 0.021(3) Uani 0.5 1 d . U . A 2
O84 O 0.7001(7) 0.5183(17) 0.1585(14) 0.038(9) Uiso 0.5 1 d . U . . .
O85 O 0.7063(7) 0.5917(15) 0.2423(11) 0.021(7) Uiso 0.5 1 d . U . A 2
O86 O 0.7866(6) 0.5923(15) 0.2068(13) 0.025(4) Uani 0.5 1 d . U . A 2
O87 O 0.7430(6) 0.5907(13) 0.1641(13) 0.019(3) Uani 0.5 1 d . U . A 2
Li1 Li 0.6579(4) 0.4945(12) 0.0783(7) 0.123(6) Uani 0.5 1 d . U . A 1
O7A O 0.750000 0.462(3) 0.250000 0.058(17) Uani 0.5 2 d S TU P . .
O0AA O 0.500000 0.5719(11) 0.3959(9) 0.019(5) Uiso 1 2 d S TU P . .
O1AA O 0.500000 0.500000 0.500000 0.11(2) Uiso 1 4 d S TU P . .
O2AA O 0.500000 0.5583(15) 0.4160(13) 0.046(8) Uiso 1 2 d S TU P . .
O3AA O 0.500000 0.539(4) 0.285(3) 0.09(3) Uiso 0.5 2 d S TU P . .
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
P P 0.1023 0.0942 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 W1 K0AA 50.9(8) . 6_655
O1 W1 O5 90.5(10) . .
O1 W1 O7 74.5(7) . .
O2 W1 K0AA 139.4(7) . 6_655
O2 W1 O1 90.0(11) . .
O2 W1 O5 166.0(8) . .
O2 W1 O7 85.1(9) . .
O3 W1 K0AA 81.5(7) . 6_655
O3 W1 O1 99.9(8) . .
O3 W1 O2 97.4(9) . .
O3 W1 O5 96.3(8) . .
O3 W1 O6 99.9(8) . .
O3 W1 O7 174.0(7) . .
O5 W1 K0AA 46.2(6) . 6_655
O5 W1 O7 81.5(7) . .
O6 W1 K0AA 131.6(5) . 6_655
O6 W1 O1 160.2(8) . .
O6 W1 O2 88.8(8) . .
O6 W1 O5 86.0(7) . .
O6 W1 O7 85.6(6) . .
O7 W1 K0AA 93.0(5) . 6_655
O6 W2 Na3 53.8(5) . .
O6 W2 O8 83.5(6) . .
O8 W2 Na3 135.8(4) . .
O9 W2 Na3 106.4(10) . .
O9 W2 O6 91.0(8) . .
O9 W2 O8 82.6(7) . .
O9 W2 O11 165.4(8) . .
O11 W2 Na3 83.0(8) . .
O11 W2 O6 85.5(7) . .
O11 W2 O8 82.9(6) . .
O12 W2 Na3 45.0(5) . .
O12 W2 O6 97.1(7) . .
O12 W2 O8 178.9(7) . .
O12 W2 O9 96.5(8) . .
O12 W2 O11 98.1(7) . .
O12 W2 O13 96.7(7) . .
O13 W2 Na3 139.0(6) . .
O13 W2 O6 166.1(7) . .
O13 W2 O8 82.8(6) . .
O13 W2 O9 89.3(8) . .
O13 W2 O11 90.7(7) . .
O5 W3 K0AA 48.5(5) . 6_655
O5 W3 O10 81.2(7) . .
O5 W3 O16 165.2(7) . .
O10 W3 K0AA 93.6(5) . 6_655
O11 W3 K0AA 133.8(6) . 6_655
O11 W3 O5 85.9(7) . .
O11 W3 O10 84.1(6) . .
O11 W3 O14 158.0(7) . .
O11 W3 O16 88.8(7) . .
O14 W3 K0AA 47.2(7) . 6_655
O14 W3 O5 88.1(9) . .
O14 W3 O10 74.0(7) . .
O14 W3 O16 91.8(9) . .
O15 W3 K0AA 79.5(7) . 6_655
O15 W3 O5 96.2(8) . .
O15 W3 O10 172.5(8) . .
O15 W3 O11 102.8(8) . .
O15 W3 O14 98.9(8) . .
O15 W3 O16 98.5(8) . .
O16 W3 K0AA 137.0(5) . 6_655
O16 W3 O10 84.5(7) . .
O13 W4 O21 88.1(6) . .
O13 W4 O24 165.7(6) . .
O13 W4 O28 82.9(6) . .
O21 W4 O28 83.0(5) . .
O22 W4 O13 96.4(7) . .
O22 W4 O21 95.3(7) . .
O22 W4 O23 97.3(7) . .
O22 W4 O24 97.2(7) . .
O22 W4 O28 178.2(7) . .
O23 W4 O13 89.7(6) . .
O23 W4 O21 167.3(6) . .
O23 W4 O24 92.8(6) . .
O23 W4 O28 84.3(6) . .
O24 W4 O21 86.4(6) . .
O24 W4 O28 83.3(6) . .
O16 W5 O17 90.8(10) . .
O16 W5 O18 84.5(7) . .
O16 W5 O20 166.3(6) . .
O17 W5 O18 74.6(7) . .
O17 W5 O20 89.7(10) . .
O19 W5 O16 97.1(8) . .
O19 W5 O17 98.1(8) . .
O19 W5 O18 172.6(7) . .
O19 W5 O20 96.4(8) . .
O19 W5 O21 101.6(7) . .
O20 W5 O18 82.4(7) . .
O21 W5 O16 88.1(7) . .
O21 W5 O17 160.2(7) . .
O21 W5 O18 85.6(5) . .
O21 W5 O20 86.8(6) . .
O20 W6 O27 82.3(7) . .
O20 W6 O30 167.0(6) . .
O24 W6 O20 85.9(6) . .
O24 W6 O26 159.0(7) . .
O24 W6 O27 85.5(6) . .
O24 W6 O30 88.1(7) . .
O25 W6 O20 95.3(8) . .
O25 W6 O24 101.6(7) . .
O25 W6 O26 99.2(8) . .
O25 W6 O27 172.3(7) . .
O25 W6 O30 97.2(8) . .
O26 W6 O20 89.8(8) . .
O26 W6 O27 73.6(7) . .
O26 W6 O30 91.8(8) . .
O30 W6 O27 85.8(7) . .
O29 W7 O1BA 85.5(6) . 2_655
O29 W7 O32 158.8(8) . .
O29 W7 O33 86.3(8) . .
O30 W7 O1BA 85.9(7) . 2_655
O30 W7 O29 88.8(7) . .
O30 W7 O32 91.4(10) . .
O30 W7 O33 167.1(8) . .
O31 W7 O1BA 173.5(7) . 2_655
O31 W7 O29 100.7(7) . .
O31 W7 O30 96.4(7) . .
O31 W7 O32 100.4(9) . .
O31 W7 O33 96.2(9) . .
O32 W7 O1BA 73.4(7) . 2_655
O32 W7 O33 88.9(10) . .
O33 W7 O1BA 81.9(8) . 2_655
O23 W8 O23 87.0(9) 12_655 .
O23 W8 O35 81.8(6) 12_655 .
O23 W8 O35 81.8(6) . .
O29 W8 O23 91.0(6) 12_655 12_655
O29 W8 O23 165.1(6) . 12_655
O29 W8 O23 91.0(6) . .
O29 W8 O23 165.1(6) 12_655 .
O29 W8 O29 87.1(10) 12_655 .
O29 W8 O35 83.2(6) . .
O29 W8 O35 83.2(6) 12_655 .
O34 W8 O23 98.5(7) . 12_655
O34 W8 O23 98.5(7) . .
O34 W8 O29 96.5(7) . .
O34 W8 O29 96.5(7) . 12_655
O34 W8 O35 179.6(9) . .
O38 W9 O45 102.3(8) . .
O38 W9 O46 97.7(9) . .
O38 W9 O47 97.0(9) . .
O38 W9 O48 96.5(10) . .
O38 W9 O49 171.0(8) . .
O45 W9 O46 86.9(7) . .
O45 W9 O47 160.7(8) . .
O45 W9 O48 89.0(8) . .
O45 W9 O49 86.5(6) . .
O46 W9 O47 90.1(10) . .
O46 W9 O48 165.8(7) . .
O46 W9 O49 84.2(8) . .
O47 W9 O48 89.3(10) . .
O47 W9 O49 74.2(7) . .
O48 W9 O49 81.9(8) . .
O48 W10 O50 82.2(8) . .
O48 W10 O54 165.2(7) . .
O51 W10 O48 88.0(8) . .
O51 W10 O50 85.7(6) . .
O51 W10 O53 159.5(8) . .
O51 W10 O54 87.3(8) . .
O52 W10 O48 98.1(8) . .
O52 W10 O50 172.1(7) . .
O52 W10 O51 102.2(8) . .
O52 W10 O53 98.3(8) . .
O52 W10 O54 96.7(8) . .
O53 W10 O48 89.5(10) . .
O53 W10 O50 73.8(7) . .
O53 W10 O54 89.9(10) . .
O54 W10 O50 83.4(8) . .
O54 W11 O56 83.2(8) . .
O54 W11 O57 89.2(9) . .
O54 W11 O59 166.0(7) . .
O55 W11 O54 87.4(8) . .
O55 W11 O56 85.4(6) . .
O55 W11 O57 159.6(8) . .
O55 W11 O59 87.5(8) . .
O57 W11 O56 74.2(7) . .
O58 W11 O54 97.6(8) . .
O58 W11 O55 102.8(8) . .
O58 W11 O56 171.8(7) . .
O58 W11 O57 97.6(8) . .
O58 W11 O59 96.2(8) . .
O59 W11 O56 83.4(8) . .
O59 W11 O57 91.0(9) . .
O59 W12 O62 82.9(8) . .
O59 W12 O64 166.1(7) . .
O60 W12 O59 97.9(9) . .
O60 W12 O61 97.0(8) . .
O60 W12 O62 171.6(7) . .
O60 W12 O63 102.5(8) . .
O60 W12 O64 95.8(8) . .
O61 W12 O59 90.6(9) . .
O61 W12 O62 74.6(7) . .
O61 W12 O64 90.3(9) . .
O63 W12 O59 86.9(7) . .
O63 W12 O61 160.5(8) . .
O63 W12 O62 85.9(6) . .
O63 W12 O64 87.7(7) . .
O64 W12 O62 84.0(8) . .
O46 W13 K0AA 56.6(6) 7_645 .
O46 W13 O67 82.6(8) 7_645 .
O64 W13 K0AA 129.1(6) . .
O64 W13 O46 166.5(7) . 7_645
O64 W13 O66 91.0(9) . .
O64 W13 O67 84.3(8) . .
O65 W13 K0AA 74.7(7) . .
O65 W13 O46 96.9(8) . 7_645
O65 W13 O64 96.6(8) . .
O65 W13 O66 99.0(8) . .
O65 W13 O67 171.6(7) . .
O65 W13 O68 101.5(8) . .
O66 W13 K0AA 43.7(8) . .
O66 W13 O46 88.2(9) . 7_645
O66 W13 O67 72.6(7) . .
O67 W13 K0AA 98.2(5) . .
O68 W13 K0AA 141.7(6) . .
O68 W13 O46 86.9(7) . 7_645
O68 W13 O64 89.1(8) . .
O68 W13 O66 159.4(7) . .
O68 W13 O67 86.9(6) . .
W16 W14 Na2 75.91(10) 7_645 .
W16 W14 O45 60.5(5) 7_645 7_645
W16 W14 O68 149.7(5) 7_645 .
W16 W14 O69 86.8(8) 7_645 .
O45 W14 Na2 114.6(5) 7_645 .
O45 W14 O69 84.3(9) 7_645 .
O68 W14 Na2 115.1(5) . .
O68 W14 O45 89.9(7) . 7_645
O68 W14 O69 83.6(9) . .
O69 W14 Na2 45.0(8) . .
O70 W14 W16 94.5(11) . 7_645
O70 W14 Na2 134.0(12) . .
O70 W14 O45 97.7(13) . 7_645
O70 W14 O68 95.9(12) . .
O70 W14 O69 177.9(15) . .
O70 W14 O71 96.7(15) . .
O71 W14 W16 120.1(11) . 7_645
O71 W14 Na2 54.9(10) . .
O71 W14 O45 165.4(10) . 7_645
O71 W14 O68 86.7(12) . .
O71 W14 O69 81.3(12) . .
O63 W14B Na2 113.3(5) . .
O63 W14B O83 82.6(9) . .
O68 W14B Na2 113.7(5) . .
O68 W14B O63 93.6(7) . .
O68 W14B O83 84.1(9) . .
O72 W14B Na2 134.4(12) . .
O72 W14B O63 97.2(12) . .
O72 W14B O68 96.5(12) . .
O72 W14B O83 179.4(14) . .
O72 W14B O86 98.9(15) . .
O72 W14B O87 98.2(14) . .
O83 W14B Na2 45.4(8) . .
O86 W14B Na2 51.6(10) . .
O86 W14B O63 163.5(11) . .
O86 W14B O68 88.2(12) . .
O86 W14B O83 81.3(13) . .
O87 W14B Na2 53.5(11) . .
O87 W14B O63 86.5(12) . .
O87 W14B O68 165.2(11) . .
O87 W14B O83 81.2(12) . .
O87 W14B O86 87.7(16) . .
O55 W15 Na2 113.9(5) . .
O55 W15 O63 93.4(7) . .
O55 W15 O73 82.5(9) . .
O63 W15 Na2 113.5(5) . .
O63 W15 O73 84.6(9) . .
O71 W15 Na2 53.9(11) . .
O71 W15 O55 165.0(11) . .
O71 W15 O63 85.2(12) . .
O71 W15 O73 82.5(12) . .
O71 W15 O74 92.5(15) . .
O73 W15 Na2 45.3(8) . .
O74 W15 Na2 55.9(11) . .
O74 W15 O55 85.5(12) . .
O74 W15 O63 167.0(11) . .
O74 W15 O73 82.4(12) . .
O75 W15 Na2 133.8(12) . .
O75 W15 O55 99.0(13) . .
O75 W15 O63 95.0(13) . .
O75 W15 O71 96.0(16) . .
O75 W15 O73 178.4(15) . .
O75 W15 O74 97.9(15) . .
Na2 W15B K2B 178.3(5) . .
O51 W15B K2B 68.0(6) . .
O51 W15B Na2 113.3(5) . .
O51 W15B O82 83.3(9) . .
O55 W15B K2B 66.7(6) . .
O55 W15B Na2 114.0(5) . .
O55 W15B O51 91.7(7) . .
O55 W15B O82 83.6(9) . .
O82 W15B K2B 137.0(9) . .
O82 W15B Na2 44.6(8) . .
O84 W15B K2B 45.5(13) . .
O84 W15B Na2 132.9(13) . .
O84 W15B O51 97.9(13) . .
O84 W15B O55 98.6(13) . .
O84 W15B O82 177.5(15) . .
O84 W15B O85 97.0(15) . .
O84 W15B O87 97.2(15) . .
O85 W15B K2B 125.8(10) . .
O85 W15B Na2 53.8(10) . .
O85 W15B O51 85.8(11) . .
O85 W15B O55 164.4(10) . .
O85 W15B O82 80.9(12) . .
O85 W15B O87 90.9(14) . .
O87 W15B K2B 125.0(10) . .
O87 W15B Na2 53.9(10) . .
O87 W15B O51 164.8(10) . .
O87 W15B O55 87.6(11) . .
O87 W15B O82 81.5(12) . .
W14 W16 Na2 73.18(10) 7_645 .
W14 W16 O45 60.7(5) 7_645 .
W14 W16 O51 153.8(5) 7_645 .
W14 W16 O76 84.8(8) 7_645 .
O44 W16 W14 94.7(13) . 7_645
O44 W16 Na2 134.7(13) . .
O44 W16 O45 96.7(12) . .
O44 W16 O51 97.2(15) . .
O44 W16 O74 97.1(15) . .
O44 W16 O76 178.6(15) . .
O45 W16 Na2 112.9(5) . .
O45 W16 O51 94.7(7) . .
O45 W16 O76 81.9(9) . .
O51 W16 Na2 112.8(5) . .
O51 W16 O76 82.8(9) . .
O74 W16 W14 117.1(11) . 7_645
O74 W16 Na2 55.5(11) . .
O74 W16 O45 166.1(11) . .
O74 W16 O51 84.5(12) . .
O74 W16 O76 84.2(13) . .
O76 W16 Na2 46.3(8) . .
O22 Fe1 O36 101.5(9) . .
O22 Fe1 O37 89.3(8) . .
O22 Fe1 O38 173.8(8) . .
O22 Fe1 O39 83.5(9) . .
O22 Fe1 O40 90.0(13) . .
O36 Fe1 O37 79.0(13) . .
O36 Fe1 O39 174.7(10) . .
O36 Fe1 O40 94.4(14) . .
O38 Fe1 O36 84.0(9) . .
O38 Fe1 O37 88.8(9) . .
O38 Fe1 O39 91.1(10) . .
O38 Fe1 O40 92.5(13) . .
O39 Fe1 O37 102.8(14) . .
O39 Fe1 O40 84.0(15) . .
O40 Fe1 O37 173.0(16) . .
Fe4B Fe5 K2B 102.8(12) . .
O39 Fe5 Fe4B 130(2) . .
O39 Fe5 K2B 114.1(19) . .
O15 Fe3 Fe3 128(4) . 4_566
O15 Fe3 O65 92(2) . 6_655
O65 Fe3 Fe3 135(2) 6_655 4_566
O2BA Fe4B Fe5 172(3) . .
O2BA Fe4B O19 92(3) . .
O2BA Fe4B O44 100(3) . .
O6DA Fe4B Fe5 64(3) . .
O6DA Fe4B O2BA 111(4) . .
O6DA Fe4B O19 87(3) . .
O6DA Fe4B O44 95(3) . .
O19 Fe4B Fe5 93.3(18) . .
O19 Fe4B O44 166(3) . .
O44 Fe4B Fe5 75(2) . .
O2BA Fe4A O19 97(3) . .
O2BA Fe4A O43 42(4) . .
O2BA Fe4A O70 87(3) . 7_645
O43 Fe4A O19 100(3) . .
O43 Fe4A O70 82(3) . 7_645
O70 Fe4A O19 175(2) 7_645 .
Fe2B Fe2A O60 73.8(16) . 4_565
Fe2B Fe2A O72 108(2) . .
Fe2B Fe2A O77 76(2) . .
O72 Fe2A O60 176.4(19) . 4_565
O77 Fe2A O60 93.1(16) . 4_565
O77 Fe2A O72 90.5(19) . .
Fe2A Fe2B O60 74.3(17) . 4_565
Fe2A Fe2B O75 103(2) . .
Fe2A Fe2B O77 70(2) . .
O60 Fe2B O75 170.1(17) 4_565 .
O77 Fe2B O60 91.4(17) . 4_565
O77 Fe2B O75 96.9(18) . .
O1 K0AA W13 155.17(12) 6_654 11_575
O1 K0AA O46 139.0(7) 6_654 13_665
O1 K0AA O46 139.0(7) 6_654 7_645
O5 K0AA W13 109.6(5) 16_654 11_575
O5 K0AA W13 139.2(8) 6_654 11_575
O5 K0AA O1 52.0(6) 6_654 6_654
O5 K0AA O1 52.0(6) 16_654 6_654
O5 K0AA O5 60.4(7) 6_654 16_654
O5 K0AA O46 168.3(9) 6_654 13_665
O5 K0AA O46 168.3(9) 16_654 7_645
O5 K0AA O46 120.9(4) 16_654 13_665
O5 K0AA O46 120.9(4) 6_654 7_645
O14 K0AA W13 89.4(6) 6_654 11_575
O14 K0AA O1 89.3(8) 6_654 6_654
O14 K0AA O5 52.1(6) 6_654 6_654
O14 K0AA O5 52.1(6) 6_654 16_654
O14 K0AA O46 118.2(7) 6_654 7_645
O14 K0AA O46 118.2(7) 6_654 13_665
O46 K0AA W13 61.2(4) 7_645 11_575
O46 K0AA W13 29.5(4) 13_665 11_575
O46 K0AA O46 55.1(6) 7_645 13_665
O66 K0AA W13 27.4(2) . 11_575
O66 K0AA O1 166.8(11) . 6_654
O66 K0AA O5 117.4(8) . 6_654
O66 K0AA O5 117.4(8) . 16_654
O66 K0AA O14 77.4(8) . 6_654
O66 K0AA O46 51.0(5) . 7_645
O66 K0AA O46 51.0(5) . 13_665
O66 K0AA O79 134.2(12) . 11_575
O66 K0AA O79 134.2(12) . .
O79 K0AA W13 112.4(10) 11_575 11_575
O79 K0AA W13 127.5(12) . 11_575
O79 K0AA O1 58.2(10) . 6_654
O79 K0AA O1 58.2(10) 11_575 6_654
O79 K0AA O5 91.5(12) 11_575 16_654
O79 K0AA O5 91.5(12) . 6_654
O79 K0AA O5 107.5(11) . 16_654
O79 K0AA O5 107.5(11) 11_575 6_654
O79 K0AA O14 143.0(12) . 6_654
O79 K0AA O14 143.0(12) 11_575 6_654
O79 K0AA O46 98.7(12) 11_575 7_645
O79 K0AA O46 84.2(10) . 7_645
O79 K0AA O46 98.7(12) . 13_665
O79 K0AA O46 84.2(10) 11_575 13_665
O79 K0AA O79 32(2) 11_575 .
O80 K0AA W13 68.7(5) 11_575 11_575
O80 K0AA W13 117.7(7) . 11_575
O80 K0AA O1 87.0(6) 11_575 6_654
O80 K0AA O1 87.0(6) . 6_654
O80 K0AA O5 123.3(8) 11_575 6_654
O80 K0AA O5 63.5(5) . 6_654
O80 K0AA O5 123.3(8) . 16_654
O80 K0AA O5 63.5(5) 11_575 16_654
O80 K0AA O14 97.9(7) . 6_654
O80 K0AA O14 97.9(7) 11_575 6_654
O80 K0AA O46 115.7(8) . 13_665
O80 K0AA O46 115.7(8) 11_575 7_645
O80 K0AA O46 61.2(5) . 7_645
O80 K0AA O46 61.2(5) 11_575 13_665
O80 K0AA O66 94.8(6) 11_575 .
O80 K0AA O66 94.8(6) . .
O80 K0AA O79 97.5(15) 11_575 .
O80 K0AA O79 97.5(15) . 11_575
O80 K0AA O79 65.9(14) 11_575 11_575
O80 K0AA O79 65.9(14) . .
O80 K0AA O80 163.0(14) . 11_575
K2B K2 O41 94.1(14) . .
K2B K2 O41 175.2(15) 4_565 .
O0CA K2 K2B 71(3) 4_565 .
O0CA K2 K2B 17(3) . .
O0CA K2 O0CA 65(6) 4_565 .
O0CA K2 O41 105(4) . .
O0CA K2 O41 159(3) 4_565 .
O0CA K2 O42 101(4) . .
O0CA K2 O42 90(3) 4_565 .
O41 K2 O41 91(3) . 4_565
O42 K2 K2B 105(2) 4_565 .
O42 K2 K2B 85(3) . .
O42 K2 K2B 105(2) . 4_565
O42 K2 K2B 85(3) 4_565 4_565
O42 K2 O41 97(3) 4_565 .
O42 K2 O41 73(2) 4_565 4_565
O42 K2 O41 97(3) . 4_565
O42 K2 O41 73(2) . .
O42 K2 O42 167(6) 4_565 .
O42 K2 Li1 105(2) 4_565 .
O42 K2 Li1 85(3) . .
O81 K2 K2B 20(3) 4_565 4_565
O81 K2 K2B 98(3) . 4_565
O81 K2 O41 163(3) 4_565 .
O81 K2 O41 163(3) . 4_565
O81 K2 O41 78(4) . .
O81 K2 O41 78(4) 4_565 4_565
O81 K2 O42 96(3) . 4_565
O81 K2 O42 96(3) 4_565 .
O81 K2 O42 91(4) 4_565 4_565
O81 K2 O42 91(4) . .
O81 K2 O81 116(7) 4_565 .
O81 K2 Li1 20(3) . .
O81 K2 Li1 98(3) 4_565 .
Li1 K2 K2B 81.3(8) . 4_565
Li1 K2 O41 94.1(14) . .
Li1 K2 O41 175.2(15) . 4_565
Fe5 K2B W15B 75.6(5) . .
K2 K2B W15B 145.5(8) . .
K2 K2B Fe5 105.3(7) . .
K2 K2B K2B 49.4(4) . 4_565
K2 K2B O0CA 39(2) . 4_565
O0CA K2B W15B 160(5) . .
O0CA K2B W15B 124(2) 4_565 .
O0CA K2B Fe5 142(2) 4_565 .
O0CA K2B Fe5 122(6) . .
O0CA K2B K2 28(5) . .
O0CA K2B O84 162(6) . .
O84 K2B W15B 22.6(7) . .
O84 K2B Fe5 72.2(8) . .
O84 K2B K2 167.8(12) . .
O84 K2B K2B 132.0(8) . 4_565
O84 K2B O0CA 139(2) . 4_565
W2 Na3 W2 159.1(15) 4_566 .
O3 Na3 W2 84.5(4) . .
O3 Na3 W2 84.5(4) 4_566 4_566
O3 Na3 W2 93.4(4) 4_566 .
O3 Na3 W2 93.4(4) . 4_566
O3 Na3 O3 168(2) 4_566 .
O6 Na3 W2 137.6(11) 4_566 .
O6 Na3 W2 31.1(3) 4_566 4_566
O6 Na3 W2 137.6(11) . 4_566
O6 Na3 W2 31.1(3) . .
O6 Na3 O3 121.0(8) . 4_566
O6 Na3 O3 54.5(5) . .
O6 Na3 O3 54.5(5) 4_566 4_566
O6 Na3 O3 121.0(8) 4_566 .
O6 Na3 O6 142.2(19) 4_566 .
O12 Na3 W2 147.3(11) 4_566 .
O12 Na3 W2 147.3(11) . 4_566
O12 Na3 W2 26.1(3) 4_566 4_566
O12 Na3 W2 26.1(3) . .
O12 Na3 O3 110.5(6) . .
O12 Na3 O3 67.5(5) 4_566 .
O12 Na3 O3 67.5(5) . 4_566
O12 Na3 O3 110.5(6) 4_566 4_566
O12 Na3 O6 56.4(5) 4_566 4_566
O12 Na3 O6 116.9(9) . 4_566
O12 Na3 O6 116.9(9) 4_566 .
O12 Na3 O6 56.4(5) . .
O12 Na3 O12 162(2) . 4_566
O1AA Na3 W2 79.5(8) . 4_566
O1AA Na3 W2 79.5(8) . .
O1AA Na3 O3 84.2(10) . 4_566
O1AA Na3 O3 84.2(10) . .
O1AA Na3 O6 71.1(9) . .
O1AA Na3 O6 71.1(9) . 4_566
O1AA Na3 O12 81.0(11) . .
O1AA Na3 O12 81.0(11) . 4_566
O8 P1 O7 109.5(8) 11_565 .
O8 P1 O7 109.5(8) . .
O8 P1 O8 110.6(12) . 11_565
O8 P1 O10 110.5(8) 11_565 .
O8 P1 O10 110.5(8) . .
O10 P1 O7 106.2(13) . .
O18 P2 O27 107.5(12) . .
O18 P2 O28 109.9(7) . .
O18 P2 O28 109.9(7) . 11_565
O27 P2 O28 108.5(7) . 11_565
O27 P2 O28 108.5(7) . .
O28 P2 O28 112.5(11) 11_565 .
O1BA P3 O1BA 105.4(18) 2_655 .
O35 P3 O1BA 109.7(5) . .
O35 P3 O1BA 109.7(5) 2_655 2_655
O35 P3 O1BA 109.7(5) 2_655 .
O35 P3 O1BA 109.7(5) . 2_655
O35 P3 O35 112.6(16) . 2_655
O49 P4 P6 51.1(10) . 13_665
O49 P4 O50 117.3(15) . .
O50 P4 P6 168.4(14) . 13_665
O76 P4 P6 78.6(14) . 13_665
O76 P4 P6 78.6(14) 11_575 13_665
O76 P4 O49 105.1(15) . .
O76 P4 O49 105.1(15) 11_575 .
O76 P4 O50 107.0(15) . .
O76 P4 O50 107.0(15) 11_575 .
O76 P4 O76 116(2) 11_575 .
O56 P4B O50 117.8(15) . .
O82 P4B O50 106.7(14) . .
O82 P4B O50 106.7(14) 11_575 .
O82 P4B O56 107.2(14) . .
O82 P4B O56 107.2(14) 11_575 .
O56 P5 O62 116.2(15) . .
O73 P5 O56 106.1(15) 11_575 .
O73 P5 O56 106.1(15) . .
O73 P5 O62 108.1(14) . .
O73 P5 O62 108.1(15) 11_575 .
O73 P5 O73 112(2) 11_575 .
O62 P5B O67 118.5(15) . .
O83 P5B O62 105.1(15) . .
O83 P5B O62 105.1(15) 11_575 .
O83 P5B O67 108.0(15) . .
O83 P5B O67 108.0(15) 11_575 .
O83 P5B O83 112(2) 11_575 .
O49 P6 P4 48.3(10) 13_665 13_665
O67 P6 P4 162.5(14) . 13_665
O67 P6 O49 114.2(14) . 13_665
O69 P6 P4 81.4(13) . 13_665
O69 P6 P4 81.4(13) 11_575 13_665
O69 P6 O49 107.2(14) . 13_665
O69 P6 O49 107.2(14) 11_575 13_665
O69 P6 O67 107.6(14) 11_575 .
O69 P6 O67 107.6(14) . .
O69 P6 O69 113(2) 11_575 .
O8 Na1 Na1 88.0(7) . 2_655
O8 Na1 Na1 88.0(7) 12_655 2_655
O8 Na1 O8 71.0(9) . 12_655
O8 Na1 O28 72.7(5) . .
O8 Na1 O28 72.7(5) 12_655 12_655
O8 Na1 O28 143.6(9) 12_655 .
O8 Na1 O28 143.6(9) . 12_655
O28 Na1 Na1 88.6(7) . 2_655
O28 Na1 Na1 88.6(7) 12_655 2_655
O28 Na1 O28 143.4(11) . 12_655
O35 Na1 Na1 88.4(7) . 2_655
O35 Na1 O8 144.3(5) . 12_655
O35 Na1 O8 144.3(5) . .
O35 Na1 O28 71.7(6) . .
O35 Na1 O28 71.7(6) . 12_655
O69 Na2 O69 170.3(17) . 7_645
O69 Na2 O73 106.7(9) 7_645 .
O69 Na2 O73 72.3(9) 7_645 7_645
O69 Na2 O73 106.7(9) . 7_645
O69 Na2 O73 72.3(9) . .
O69 Na2 O76 36.0(9) . 7_645
O69 Na2 O76 142.7(9) . .
O69 Na2 O76 142.7(9) 7_645 7_645
O69 Na2 O76 36.0(9) 7_645 .
O69 Na2 O82 72.7(9) . 7_645
O69 Na2 O82 106.5(9) 7_645 7_645
O69 Na2 O83 142.8(10) . 7_645
O69 Na2 O83 35.7(9) 7_645 7_645
O69 Na2 O86 144.1(13) . 7_645
O69 Na2 O86 45.6(9) 7_645 7_645
O73 Na2 O73 168.7(16) . 7_645
O73 Na2 O76 70.9(9) 7_645 7_645
O73 Na2 O76 108.1(9) . 7_645
O73 Na2 O76 70.9(9) . .
O73 Na2 O76 108.1(9) 7_645 .
O73 Na2 O83 141.7(10) . 7_645
O73 Na2 O83 36.6(9) 7_645 7_645
O73 Na2 O86 107.0(10) . 7_645
O73 Na2 O86 80.5(9) 7_645 7_645
O76 Na2 O76 170.7(17) 7_645 .
O76 Na2 O86 56.3(9) . 7_645
O76 Na2 O86 131.4(11) 7_645 7_645
O82 Na2 O82 170.5(16) 7_645 .
O82 Na2 O83 108.2(10) 7_645 .
O82 Na2 O83 70.9(9) . .
O82 Na2 O86 105.7(10) . .
O82 Na2 O86 80.6(9) 7_645 .
O83 Na2 O86 132.4(11) 7_645 .
O83 Na2 O86 56.3(9) . .
O86 Na2 O86 98.5(15) 7_645 .
K2 O0CA K2B 70(3) . 4_565
K2B O0CA K2 134(8) . .
W1 O1 W1 117.1(12) . 11_565
W1 O1 K0AA 101.4(9) . 6_655
W1 O1 K0AA 101.4(9) 11_565 6_655
W7 O1BA W7 93.6(8) 2_655 12_655
P3 O1BA W7 127.2(7) . 2_655
P3 O1BA W7 127.2(7) . 12_655
W1 O2 W1 161.4(13) . 12_655
O43 O2BA Fe4B 115(7) . .
O43 O2BA Fe4A 81(6) . .
W1 O3 Na3 103.8(7) . .
W1 O5 K0AA 106.3(8) . 6_655
W3 O5 W1 148.7(9) . .
W3 O5 K0AA 103.4(8) . 6_655
W1 O6 W2 150.2(9) . .
W1 O6 Na3 100.1(6) . .
W2 O6 Na3 95.1(6) . .
W1 O7 W1 93.7(8) . 11_565
P1 O7 W1 126.7(7) . .
P1 O7 W1 126.7(7) . 11_565
W2 O8 Na1 102.4(8) . .
P1 O8 W2 131.0(9) . .
P1 O8 Na1 126.6(10) . .
W2 O9 W2 160.0(13) . 12_655
W3 O10 W3 93.5(8) . 11_565
P1 O10 W3 127.3(7) . .
P1 O10 W3 127.3(7) . 11_565
W3 O11 W2 152.5(10) . .
W2 O12 Na3 108.9(7) . .
W2 O13 W4 162.1(9) . .
W3 O14 W3 118.0(11) 11_565 .
W3 O14 K0AA 105.0(8) . 6_655
W3 O14 K0AA 105.0(8) 11_565 6_655
W3 O15 Fe3 157.3(19) . .
W5 O16 W3 161.2(10) . .
W5 O17 W5 116.8(11) 11_565 .
W5 O18 W5 93.8(7) 11_565 .
P2 O18 W5 126.6(6) . 11_565
P2 O18 W5 126.6(6) . .
W5 O19 Fe4B 153.6(19) . .
W5 O19 Fe4A 170.7(14) . .
W6 O20 W5 148.6(8) . .
W5 O21 W4 148.6(8) . .
W4 O22 Fe1 147.0(10) . .
W4 O23 W8 158.4(9) . .
W6 O24 W4 150.8(9) . .
W6 O26 W6 119.3(11) . 11_565
W6 O27 W6 93.4(8) . 11_565
P2 O27 W6 126.9(7) . .
P2 O27 W6 126.9(7) . 11_565
W4 O28 Na1 102.2(8) . .
P2 O28 W4 132.6(8) . .
P2 O28 Na1 125.1(10) . .
W8 O29 W7 150.8(9) . .
W7 O30 W6 161.6(9) . .
W7 O32 W7 119.4(13) . 11_565
W7 O33 W7 147.4(13) . 12_655
W8 O35 Na1 103.5(9) . .
P3 O35 W8 131.1(12) . .
P3 O35 Na1 125.4(12) . .
W9 O38 Fe1 149.2(14) . .
O2BA O43 Fe4A 57(5) . .
W9 O45 W14 146.4(10) . 7_645
W9 O45 W16 142.8(10) . .
W16 O45 W14 58.8(5) . 7_645
W9 O46 W13 154.4(8) . 7_645
W9 O46 K0AA 111.2(7) . 13_665
W13 O46 K0AA 93.9(7) 7_645 13_665
W9 O47 W9 117.0(12) 11_575 .
W9 O48 W10 155.2(10) . .
W9 O49 W9 94.5(8) . 11_575
P4 O49 W9 121.6(9) . 11_575
P4 O49 W9 121.6(9) . .
P4 O49 P6 80.6(12) . 13_665
P6 O49 W9 120.7(9) 13_665 .
P6 O49 W9 120.7(9) 13_665 11_575
W10 O50 W10 93.9(8) 11_575 .
P4 O50 W10 121.0(9) . 11_575
P4 O50 W10 121.0(9) . .
P4B O50 W10 120.9(9) . .
W10 O51 W15B 145.5(10) . .
W10 O51 W16 144.0(10) . .
W10 O53 W10 118.5(12) . 11_575
W11 O54 W10 154.4(10) . .
W11 O55 W15 144.4(10) . .
W11 O55 W15B 146.3(10) . .
W11 O56 W11 93.7(8) 11_575 .
P4B O56 W11 121.4(9) . .
P5 O56 W11 121.7(9) . .
P5 O56 W11 121.7(9) . 11_575
W11 O57 W11 117.9(12) . 11_575
W11 O59 W12 156.0(10) . .
W12 O60 Fe2A 168.4(14) . 4_565
W12 O60 Fe2B 148.5(13) . 4_565
Fe2B O60 Fe2A 31.8(9) 4_565 4_565
W12 O61 W12 117.8(12) . 11_575
W12 O62 W12 93.0(8) 11_575 .
P5 O62 W12 122.0(9) . .
P5 O62 W12 122.0(9) . 11_575
P5B O62 W12 120.3(9) . .
W12 O63 W14B 143.9(10) . .
W12 O63 W15 143.8(9) . .
W13 O64 W12 154.4(10) . .
W13 O65 Fe3 170.8(19) . 6_654
W13 O66 W13 119.4(11) 11_575 .
W13 O66 K0AA 108.9(8) . .
W13 O66 K0AA 108.9(8) 11_575 .
W13 O67 W13 95.3(8) . 11_575
P5B O67 W13 120.3(8) . .
P6 O67 W13 122.6(8) . .
P6 O67 W13 122.6(8) . 11_575
W13 O68 W14 146.0(9) . .
W13 O68 W14B 143.3(10) . .
W14 O69 Na2 99.2(12) . .
P6 O69 W14 132.5(17) . .
P6 O69 Na2 128.2(17) . .
P6 O69 O76 97(2) . 7_645
O76 O69 W14 92.7(16) 7_645 .
O76 O69 Na2 75.0(14) 7_645 .
W14 O70 Fe4A 146(2) . 7_645
W14 O71 Na2 93.8(12) . .
W15 O71 W14 164(2) . .
W15 O71 Na2 96.0(13) . .
W14B O72 Fe2A 151(2) . .
W15 O73 Na2 98.5(12) . .
P5 O73 W15 131.9(17) . .
P5 O73 Na2 129.4(17) . .
W16 O74 W15 164(2) . .
W15 O75 Fe2B 153(2) . .
W16 O76 Na2 98.5(12) . .
P4 O76 W16 134.7(18) . .
P4 O76 Na2 126.7(17) . .
P4 O76 O69 102(2) . 7_645
O69 O76 W16 95.6(16) 7_645 .
O69 O76 Na2 69.0(14) 7_645 .
Fe2A O77 Fe2B 34.9(12) . .
O79 O79 K0AA 74.2(12) 11_575 .
Li1 O81 K2 129(7) . .
W15B O82 Na2 100.0(12) . .
P4B O82 W15B 130.8(17) . .
P4B O82 Na2 129.2(17) . .
W14B O83 Na2 98.6(12) . .
P5B O83 W14B 132.3(18) . .
P5B O83 Na2 129.0(17) . .
W15B O84 K2B 111.9(17) . .
W15B O85 Na2 94.3(12) . .
O86 O85 W15B 166(3) 7_645 .
O86 O85 Na2 73.9(19) 7_645 .
W14B O86 Na2 98.8(13) . .
O85 O86 W14B 177(3) 7_645 .
O85 O86 Na2 79(2) 7_645 .
W14B O87 W15B 162(2) . .
W14B O87 Na2 97.4(13) . .
W15B O87 Na2 94.0(11) . .
O81 Li1 K2 32(5) . .
Na3 O1AA Na3 180.0 9_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 K0AA 4.082(17) 6_655
W1 O1 1.935(12) .
W1 O2 1.929(4) .
W1 O3 1.714(17) .
W1 O5 1.964(18) .
W1 O6 1.886(16) .
W1 O7 2.262(15) .
W2 Na3 3.700(9) .
W2 O6 1.920(16) .
W2 O8 2.193(14) .
W2 O9 1.900(4) .
W2 O11 1.904(15) .
W2 O12 1.718(14) .
W2 O13 1.865(15) .
W3 K0AA 3.99(2) 6_655
W3 O5 1.934(18) .
W3 O10 2.264(14) .
W3 O11 1.877(15) .
W3 O14 1.923(11) .
W3 O15 1.707(17) .
W3 O16 1.940(16) .
W4 O13 1.913(15) .
W4 O21 1.971(15) .
W4 O22 1.745(15) .
W4 O23 1.863(15) .
W4 O24 1.936(15) .
W4 O28 2.158(14) .
W5 O16 1.904(16) .
W5 O17 1.937(12) .
W5 O18 2.260(13) .
W5 O19 1.726(16) .
W5 O20 1.977(14) .
W5 O21 1.855(14) .
W6 O20 1.921(14) .
W6 O24 1.857(15) .
W6 O25 1.723(16) .
W6 O26 1.913(11) .
W6 O27 2.268(14) .
W6 O30 1.953(19) .
W7 O1BA 2.267(14) 2_655
W7 O29 1.905(15) .
W7 O30 1.904(19) .
W7 O31 1.752(16) .
W7 O32 1.913(13) .
W7 O33 1.961(7) .
W8 O23 1.931(15) 12_655
W8 O23 1.931(15) .
W8 O29 1.883(15) .
W8 O29 1.883(15) 12_655
W8 O34 1.75(2) .
W8 O35 2.224(19) .
W9 O38 1.691(18) .
W9 O45 1.862(16) .
W9 O46 1.920(19) .
W9 O47 1.931(12) .
W9 O48 1.93(2) .
W9 O49 2.242(15) .
W10 O48 1.94(2) .
W10 O50 2.254(15) .
W10 O51 1.861(17) .
W10 O52 1.726(16) .
W10 O53 1.918(12) .
W10 O54 1.98(2) .
W11 O54 1.90(2) .
W11 O55 1.868(16) .
W11 O56 2.263(15) .
W11 O57 1.927(12) .
W11 O58 1.711(17) .
W11 O59 1.906(17) .
W12 O59 1.958(17) .
W12 O60 1.703(17) .
W12 O61 1.925(12) .
W12 O62 2.271(16) .
W12 O63 1.874(16) .
W12 O64 1.98(2) .
W13 K0AA 3.946(17) .
W13 O46 1.948(18) 7_645
W13 O64 1.89(2) .
W13 O65 1.692(16) .
W13 O66 1.917(11) .
W13 O67 2.240(14) .
W13 O68 1.873(16) .
W14 W16 1.962(3) 7_645
W14 Na2 3.657(14) .
W14 O45 2.000(17) 7_645
W14 O68 1.987(16) .
W14 O69 2.17(3) .
W14 O70 1.75(3) .
W14 O71 1.90(3) .
W14B Na2 3.693(13) .
W14B O63 2.000(17) .
W14B O68 1.987(16) .
W14B O72 1.71(3) .
W14B O83 2.20(3) .
W14B O86 1.85(3) .
W14B O87 1.81(3) .
W15 Na2 3.691(13) .
W15 O55 1.982(17) .
W15 O63 1.998(17) .
W15 O71 1.86(3) .
W15 O73 2.20(3) .
W15 O74 1.89(3) .
W15 O75 1.72(3) .
W15B K2B 4.014(16) .
W15B Na2 3.697(13) .
W15B O51 1.992(17) .
W15B O55 1.971(16) .
W15B O82 2.17(3) .
W15B O84 1.66(4) .
W15B O85 1.96(3) .
W15B O87 1.97(3) .
W16 Na2 3.705(13) .
W16 O44 1.69(3) .
W16 O45 1.996(17) .
W16 O51 1.998(17) .
W16 O74 1.87(3) .
W16 O76 2.16(3) .
Fe1 O22 2.074(18) .
Fe1 O36 2.15(3) .
Fe1 O37 2.21(3) .
Fe1 O38 2.08(2) .
Fe1 O39 2.18(3) .
Fe1 O40 2.21(5) .
Fe5 Fe4B 2.70(6) .
Fe5 K2B 3.63(3) .
Fe5 O39 1.35(3) .
Fe3 Fe3 2.46(10) 4_566
Fe3 O15 2.11(5) .
Fe3 O65 2.16(6) 6_655
Fe4B O2BA 1.84(10) .
Fe4B O6DA 1.81(9) .
Fe4B O19 1.92(4) .
Fe4B O44 2.03(5) .
Fe4A O2BA 1.56(9) .
Fe4A O19 2.03(3) .
Fe4A O43 1.83(9) .
Fe4A O70 1.96(4) 7_645
Fe2A Fe2B 1.10(3) .
Fe2A O60 2.01(3) 4_565
Fe2A O72 1.95(4) .
Fe2A O77 1.81(5) .
Fe2B O60 2.01(3) 4_565
Fe2B O75 2.06(4) .
Fe2B O77 1.87(5) .
K0AA O1 3.23(3) 6_654
K0AA O5 3.07(2) 6_654
K0AA O5 3.07(2) 16_654
K0AA O14 3.03(3) 6_654
K0AA O46 3.30(2) 13_665
K0AA O46 3.30(2) 7_645
K0AA O66 2.88(3) .
K0AA O79 2.96(6) 11_575
K0AA O79 2.96(6) .
K0AA O80 2.83(3) 11_575
K0AA O80 2.83(3) .
K2 K2B 3.15(2) .
K2 K2B 3.15(2) 4_565
K2 O0CA 2.09(11) 4_565
K2 O0CA 2.09(11) .
K2 O41 3.34(7) .
K2 O41 3.34(7) 4_565
K2 O42 2.19(7) 4_565
K2 O42 2.19(7) .
K2 O81 2.10(10) 4_565
K2 O81 2.10(10) .
K2 Li1 3.15(2) .
K2B K2B 4.10(4) 4_565
K2B O0CA 1.31(9) .
K2B O0CA 3.16(12) 4_565
K2B O84 3.08(4) .
Na3 O3 3.019(19) 4_566
Na3 O3 3.019(19) .
Na3 O6 3.00(2) .
Na3 O6 3.00(2) 4_566
Na3 O12 2.767(17) .
Na3 O12 2.767(17) 4_566
Na3 O1AA 2.54(5) .
P1 O7 1.54(2) .
P1 O8 1.516(15) 11_565
P1 O8 1.516(15) .
P1 O10 1.53(2) .
P2 O18 1.53(2) .
P2 O27 1.53(2) .
P2 O28 1.529(14) .
P2 O28 1.529(14) 11_565
P3 O1BA 1.55(2) 2_655
P3 O1BA 1.55(2) .
P3 O35 1.52(2) .
P3 O35 1.52(2) 2_655
P4 P6 2.17(3) 13_665
P4 O49 1.64(3) .
P4 O50 1.65(3) .
P4 O76 1.51(3) .
P4 O76 1.51(3) 11_575
P4B O50 1.66(3) .
P4B O56 1.63(3) .
P4B O82 1.55(3) 11_575
P4B O82 1.55(3) .
P5 O56 1.65(3) .
P5 O62 1.65(3) .
P5 O73 1.49(3) 11_575
P5 O73 1.49(3) .
P5B O62 1.65(3) .
P5B O67 1.68(3) .
P5B O83 1.51(3) 11_575
P5B O83 1.51(3) .
P6 O49 1.71(3) 13_665
P6 O67 1.66(3) .
P6 O69 1.53(3) .
P6 O69 1.53(3) 11_575
Na1 Na1 2.67(5) 2_655
Na1 O8 2.64(2) .
Na1 O8 2.64(2) 12_655
Na1 O28 2.649(15) 12_655
Na1 O28 2.649(15) .
Na1 O35 2.62(3) .
Na2 O69 2.62(3) 7_645
Na2 O69 2.62(3) .
Na2 O73 2.65(3) .
Na2 O73 2.65(3) 7_645
Na2 O76 2.71(3) 7_645
Na2 O76 2.71(3) .
Na2 O82 2.64(3) .
Na2 O82 2.64(3) 7_645
Na2 O83 2.66(3) .
Na2 O83 2.66(3) 7_645
Na2 O86 2.93(4) .
Na2 O86 2.93(4) 7_645
O2BA O43 1.24(10) .
O69 O76 1.65(4) 7_645
O79 O79 1.61(12) 11_575
O81 Li1 1.37(10) .
O85 O86 1.38(4) 7_645
O0AA O2AA 0.60(3) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.374 0.124 0.126 5323 2859 ' '
