#------------------------------------------------------------------------------
#$Date: 2019-12-14 02:18:30 +0200 (Sat, 14 Dec 2019) $
#$Revision: 245120 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/37/4133775.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_4133775
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(Fe26.99 K21.78 Mo8 Na8.17 O965.87 P40 W232), K O2.5, Li, 3.5(O), 0.13(K)'
_chemical_formula_sum            'Fe3.38 K3.86 Li Mo Na1.01 O126.73 P5 W29'
_chemical_formula_weight         7980.10
_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             2019-08-06
_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                   52.361(3)
_cell_length_b                   21.6772(12)
_cell_length_c                   26.1817(16)
_cell_measurement_reflns_used    9366
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.71
_cell_measurement_theta_min      2.35
_cell_volume                     29717(3)
_computing_cell_refinement       'SAINT v8.38A (Bruker, 2017)'
_computing_data_collection       'APEX3 v2017.3-0 (Bruker, 2017)'
_computing_data_reduction        'SAINT v8.38A (Bruker, 2017)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX-II CCD'
_diffrn_detector_area_resol_mean 8.258
_diffrn_detector_type            'CCD Area Detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'Kappa Four-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II Ultra'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Double Bounce Multilayer Mirrors'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       66
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            114401
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.747
_diffrn_reflns_theta_min         0.870
_diffrn_source                   'Micro Focus Rotating Anode'
_diffrn_source_type              'Bruker TXS'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    23.005
_exptl_absorpt_correction_T_max  0.2607
_exptl_absorpt_correction_T_min  0.1305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1333 before and 0.0534 after correction. The Ratio of minimum to maximum transmission is 0.5006. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'light black'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    3.567
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             27618
_exptl_crystal_size_max          0.042
_exptl_crystal_size_mid          0.031
_exptl_crystal_size_min          0.017
_refine_diff_density_max         3.177
_refine_diff_density_min         -4.510
_refine_diff_density_rms         0.530
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1071
_refine_ls_number_reflns         16393
_refine_ls_number_restraints     2412
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0831
_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)+(0.0129P)²+9547.5898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1797
_refine_ls_wR_factor_ref         0.1888
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13980
_reflns_number_total             16393
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b10277_si_007.cif
_cod_data_source_block           FeMoImma
_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_database_code               4133775
_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   0.644
_shelx_estimated_absorpt_t_min   0.375
_olex2_refinement_description
;
1. Shared sites
{W1, Mo1}
{W3, Mo3}
{W5, Mo5}
{W6, Mo6}
{W7, Mo7}
{W9, Mo9}
{W10, Mo10}
{W11, Mo11}
{W12, Mo12}
{W13, Mo13}
2. Uiso/Uaniso restraints and constraints
Uanis(O20) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O77) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O37) \\sim Ueq, Uanis(O2BA) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O4) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(Li6D) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O1AA) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O40) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(K5AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Fe4) = Uanis(Fe4B)
Uanis(Fe1) = Uanis(Fe2)
Uanis(Fe3) = Uanis(Fe1)
Uanis(O43) = Uanis(O2BA) = Uanis(Fe4B) = Uanis(Fe4)
Uanis(O81) = Uanis(O0CA)
Uanis(W1) = Uanis(Mo1)
Uanis(W3) = Uanis(Mo3)
Uanis(W5) = Uanis(Mo5)
Uanis(W6) = Uanis(Mo6)
Uanis(W7) = Uanis(Mo7)
Uanis(W9) = Uanis(Mo9)
Uanis(W10) = Uanis(Mo10)
Uanis(W11) = Uanis(Mo11)
Uanis(W12) = Uanis(Mo12)
Uanis(W13) = Uanis(Mo13)
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
 Fixed Sof: W1(0.95) W3(0.95) W5(0.95) W6(0.95) W7(0.95) Mo1(0.05) Mo3(0.05)
 Mo5(0.05) Mo6(0.05) Mo7(0.05) W9(0.95) W10(0.95) W11(0.95) W12(0.95) W13(0.95)
 Mo9(0.05) Mo10(0.05) Mo11(0.05) Mo12(0.05) Mo13(0.05) W14(0.5) W14B(0.5)
 W15(0.5) W15B(0.5) W16(0.5) Fe1(0.5) Fe3(0.2) Fe4(0.15) Fe4B(0.25) Fe5(0.25)
 Fe5B(0.25) K0AA(0.16667) K2B(0.2) P4(0.25) P4B(0.25) P5(0.25) P5B(0.25)
 P6(0.25) O0CA(0.25) O2BA(0.25) Li6D(0.5) O7(0.5) O36(0.5) O37(0.5)
 O39(0.33333) O40(0.25) O41(0.5) O42(0.5) O43(0.2) 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) K78(0.125)
 O4AA(0.25) K5AA(0.0625) O0AA(0.25) O6AA(0.5) O2AA(0.08333) O7AA(0.5)
 O9AA(0.16667) O0BA(0.33333) O3AA(0.33333) O4(0.16667)
;
_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 0.96364(2) 0.67344(5) 0.00782(4) 0.0380(3) Uani 0.95 1 d . U . A 1
W3 W 0.90543(2) 0.67362(5) -0.07659(5) 0.0384(3) Uani 0.95 1 d . U . A 1
W5 W 0.88323(2) 0.67354(5) -0.21477(5) 0.0395(3) Uani 0.95 1 d . U . A 1
W6 W 0.90516(2) 0.67363(5) -0.35196(5) 0.0404(3) Uani 0.95 1 d . U . A 1
W7 W 0.96393(3) 0.67353(5) -0.43749(4) 0.0428(3) Uani 0.95 1 d . U . A 1
Mo1 Mo 0.96364(2) 0.67344(5) 0.00782(4) 0.0380(3) Uani 0.05 1 d . U . A 2
Mo3 Mo 0.90543(2) 0.67362(5) -0.07659(5) 0.0384(3) Uani 0.05 1 d . U . A 2
Mo5 Mo 0.88323(2) 0.67354(5) -0.21477(5) 0.0395(3) Uani 0.05 1 d . U . A 2
Mo6 Mo 0.90516(2) 0.67363(5) -0.35196(5) 0.0404(3) Uani 0.05 1 d . U . A 2
Mo7 Mo 0.96393(3) 0.67353(5) -0.43749(4) 0.0428(3) Uani 0.05 1 d . U . A 2
W4 W 0.94257(2) 0.59402(4) -0.25289(4) 0.02389(19) Uani 1 1 d . U . A 2
W2 W 0.96424(2) 0.59393(4) -0.11672(4) 0.02325(19) Uani 1 1 d . U . . .
W8 W 1.000000 0.59271(6) -0.33756(5) 0.0255(3) Uani 1 2 d S TU P A .
W9 W 0.63560(2) 0.67380(5) 0.29667(6) 0.0443(3) Uani 0.95 1 d . U . B 1
W10 W 0.64367(2) 0.67372(5) 0.15255(6) 0.0460(3) Uani 0.95 1 d . U . B 1
W11 W 0.69237(3) 0.67363(6) 0.04586(5) 0.0474(3) Uani 0.95 1 d . U . B 1
W12 W 0.76333(3) 0.67370(6) 0.01762(5) 0.0482(3) Uani 0.95 1 d . U . B 1
W13 W 0.82898(2) 0.67341(5) 0.07765(5) 0.0456(3) Uani 0.95 1 d . U . A 1
Mo9 Mo 0.63560(2) 0.67380(5) 0.29667(6) 0.0443(3) Uani 0.05 1 d . U . B 2
Mo10 Mo 0.64367(2) 0.67372(5) 0.15255(6) 0.0460(3) Uani 0.05 1 d . U . B 2
Mo11 Mo 0.69237(3) 0.67363(6) 0.04586(5) 0.0474(3) Uani 0.05 1 d . U . B 2
Mo12 Mo 0.76333(3) 0.67370(6) 0.01762(5) 0.0482(3) Uani 0.05 1 d . U . B 2
Mo13 Mo 0.82898(2) 0.67341(5) 0.07765(5) 0.0456(3) Uani 0.05 1 d . U . A 2
W14 W 0.80230(4) 0.59401(8) 0.19068(8) 0.0280(4) Uani 0.5 1 d . U . A 1
W14B W 0.77538(4) 0.59344(9) 0.13944(8) 0.0301(4) Uani 0.5 1 d . U . A 2
W15 W 0.73760(4) 0.59386(9) 0.13089(9) 0.0308(4) Uani 0.5 1 d . U . A 1
W15B W 0.70535(4) 0.59357(8) 0.16718(8) 0.0265(4) Uani 0.5 1 d . U . A 2
W16 W 0.68960(4) 0.59369(9) 0.23613(9) 0.0315(4) Uani 0.5 1 d . U . A 1
Fe1 Fe 0.58633(14) 0.5563(4) 0.2765(3) 0.0412(14) Uani 0.5 1 d . U . B 1
Fe2 Fe 0.6239(10) 0.497(2) 0.203(2) 0.0412(14) Uani 0.087(12) 1 d . U . A 2
Fe3 Fe 0.8710(3) 0.5578(9) 0.0029(9) 0.0412(14) Uani 0.2 1 d . U . A .
Fe4 Fe 0.6637(8) 0.4386(19) 0.2569(16) 0.073(4) Uani 0.15 1 d . U . A 2
Fe4B Fe 0.6683(5) 0.4455(11) 0.3030(10) 0.073(4) Uani 0.25 1 d . U . A 1
Fe5 Fe 0.7732(6) 0.4439(11) 0.0822(10) 0.079(5) Uani 0.25 1 d . U . A 1
Fe5B Fe 0.7510(5) 0.4414(12) 0.0796(9) 0.076(6) Uani 0.25 1 d . U . A 2
K0AA K 0.8973(6) 0.750000 0.0625(13) 0.066(4) Uani 0.3333 2 d S TU P A .
K1AA K 0.6125(3) 0.500000 0.000000 0.082(4) Uani 1 2 d S TU P C 1
K2B K 0.6573(8) 0.496(2) 0.0796(15) 0.078(7) Uani 0.2 1 d . U . A 2
K3 K 0.9503(6) 0.500000 0.000000 0.042(3) Uani 0.30(2) 2 d S TU P A 2
P1 P 0.96077(15) 0.750000 -0.1061(3) 0.0227(14) Uani 1 2 d S TU P A .
P2 P 0.93623(14) 0.750000 -0.2556(3) 0.0216(13) Uani 1 2 d S TU P A .
P3 P 1.000000 0.750000 -0.3485(4) 0.024(2) Uani 1 4 d S TU P . .
P4 P 0.6838(3) 0.750000 0.2360(8) 0.027(2) Uani 0.5 2 d S TU P A 1
P4B P 0.7007(3) 0.750000 0.1592(7) 0.027(2) Uani 0.5 2 d S TU P A 2
P5 P 0.7362(3) 0.750000 0.1195(7) 0.027(2) Uani 0.5 2 d S TU P A 1
P5B P 0.7776(4) 0.750000 0.1278(7) 0.028(2) Uani 0.5 2 d S TU P A 2
P6 P 0.8077(3) 0.750000 0.1841(7) 0.026(3) Uani 0.5 2 d S TU P A 1
Na1 Na 1.000000 0.6803(13) -0.2149(10) 0.020(2) Uani 0.48(3) 2 d S TU P A 2
Na2 Na 0.750000 0.6775(11) 0.250000 0.022(2) Uani 0.54(3) 2 d S TU P . .
O0CA O 0.633(2) 0.509(6) 0.066(4) 0.091(16) Uani 0.25 1 d . U . A 2
O1 O 0.9582(5) 0.750000 0.0435(10) 0.043(2) Uani 1 2 d S TU P A .
O1BA O 1.0240(4) 0.750000 -0.3831(9) 0.030(4) Uani 1 2 d S TU P A .
O2 O 1.000000 0.6781(13) 0.0187(10) 0.042(3) Uani 1 2 d S TU P . .
O2BA O 0.689(2) 0.420(5) 0.320(4) 0.073(4) Uani 0.25 1 d . U . . .
O3 O 0.9572(4) 0.6220(9) 0.0560(7) 0.046(3) Uani 1 1 d . U . . .
O5 O 0.9284(3) 0.6777(8) -0.0171(7) 0.038(2) Uani 1 1 d . U . . .
O6 O 0.9702(3) 0.6186(8) -0.0464(6) 0.032(2) Uani 1 1 d . U . . .
Li6D Li 0.6837(19) 0.354(5) 0.141(4) 0.05(2) Uani 0.5 1 d . U . D 1
O7 O 0.9693(5) 0.750000 -0.0502(9) 0.036(6) Uani 1 2 d . U . . .
O8 O 0.9707(3) 0.6919(7) -0.1329(6) 0.0216(18) Uani 1 1 d . U . . .
O9 O 1.000000 0.5873(11) -0.1282(9) 0.029(3) Uani 1 2 d S TU P A .
O10 O 0.9312(4) 0.750000 -0.1057(9) 0.029(3) Uani 1 2 d S TU P A .
O8AA O 0.9296(3) 0.6205(7) -0.1053(7) 0.030(2) Uani 1 1 d . U . . .
O12 O 0.9590(3) 0.5165(7) -0.1043(7) 0.033(2) Uani 1 1 d . U . . .
O13 O 0.9588(3) 0.5902(7) -0.1890(6) 0.028(2) Uani 1 1 d . U . . .
O14 O 0.8905(5) 0.750000 -0.0547(11) 0.040(2) Uani 1 2 d S TU P A .
O15 O 0.8842(3) 0.6237(8) -0.0486(8) 0.043(3) Uani 1 1 d . U . . .
O16 O 0.8886(3) 0.6798(8) -0.1430(8) 0.036(2) Uani 1 1 d . U . . .
O17 O 0.8646(4) 0.750000 -0.2143(12) 0.040(3) Uani 1 2 d S TU P . .
O18 O 0.9127(4) 0.750000 -0.2219(9) 0.024(3) Uani 1 2 d S TU P A .
O19 O 0.8585(3) 0.6229(8) -0.2106(8) 0.043(3) Uani 1 1 d . U . . .
O20 O 0.8847(3) 0.6784(8) -0.2891(8) 0.037(2) Uani 1 1 d . U . . .
O21 O 0.9109(3) 0.6200(7) -0.2186(7) 0.029(2) Uani 1 1 d . U . A 2
O22 O 0.9341(3) 0.5169(7) -0.2561(7) 0.030(3) Uani 1 1 d . U . . .
O23 O 0.9745(3) 0.5891(7) -0.2839(6) 0.0245(19) Uani 1 1 d . U . . .
O24 O 0.9259(3) 0.6198(7) -0.3156(7) 0.031(2) Uani 1 1 d . U . A 2
O25 O 0.8853(4) 0.6231(9) -0.3839(8) 0.049(4) Uani 1 1 d . U . . .
O26 O 0.8905(5) 0.750000 -0.3740(10) 0.037(3) Uani 1 2 d S TU P . .
O27 O 0.9267(4) 0.750000 -0.3112(9) 0.023(2) Uani 1 2 d S TU P A .
O28 O 0.9522(3) 0.6909(7) -0.2471(6) 0.0220(17) Uani 1 1 d . U . . .
O29 O 0.9752(3) 0.6203(7) -0.3860(6) 0.028(2) Uani 1 1 d . U . . .
O30 O 0.9314(4) 0.6792(8) -0.4036(7) 0.037(2) Uani 1 1 d . U . . .
O31 O 0.9547(4) 0.6215(9) -0.4850(7) 0.045(4) Uani 1 1 d . U . . .
O32 O 0.9576(6) 0.750000 -0.4728(10) 0.043(4) Uani 1 2 d S TU P . .
O33 O 1.000000 0.6789(10) -0.4575(8) 0.036(4) Uani 1 2 d S TU P . .
O34 O 1.000000 0.5159(10) -0.3550(9) 0.033(4) Uani 1 2 d S TU P A .
O35 O 1.000000 0.6899(9) -0.3143(8) 0.022(2) Uani 1 2 d S TU P A .
O36 O 0.9336(7) 0.5818(16) 0.1493(14) 0.028(8) Uiso 0.5 1 d . U . E 2
O37 O 0.5996(8) 0.4935(19) 0.3439(17) 0.050(6) Uani 0.5 1 d . U . . .
O38 O 0.6107(3) 0.6251(9) 0.3061(9) 0.050(3) Uani 1 1 d . U . . .
O39 O 0.6135(12) 0.536(3) 0.215(2) 0.052(15) Uiso 0.3333 1 d . U . . .
O40 O 0.5701(16) 0.620(4) 0.218(3) 0.048(8) Uani 0.25 1 d . U . . .
O41 O 0.5689(12) 0.502(3) 0.088(3) 0.098(18) Uani 0.5 1 d . U . . .
O42 O 0.6066(18) 0.591(3) 0.011(5) 0.19(4) Uani 0.5 1 d . U . . .
O43 O 0.690(3) 0.407(7) 0.291(6) 0.073(4) Uani 0.2 1 d . U . A .
O44 O 0.6824(7) 0.5175(16) 0.2336(16) 0.046(5) Uani 0.5 1 d . U . . .
O45 O 0.6625(3) 0.6192(8) 0.2870(8) 0.041(3) Uani 1 1 d . U . . .
O46 O 0.6464(3) 0.6790(8) 0.3678(8) 0.042(3) Uani 1 1 d . U . . .
O47 O 0.6176(5) 0.750000 0.3031(12) 0.045(4) Uani 1 2 d S TU P . .
O48 O 0.6319(4) 0.6803(8) 0.2250(9) 0.048(3) Uani 1 1 d . U . . .
O49 O 0.6641(4) 0.750000 0.2851(11) 0.036(3) Uani 1 2 d S TU P . .
O50 O 0.6706(4) 0.750000 0.1761(11) 0.038(2) Uani 1 2 d S TU P . .
O51 O 0.6691(3) 0.6191(8) 0.1760(8) 0.041(2) Uani 1 1 d . U . . .
O52 O 0.6206(4) 0.6231(9) 0.1319(9) 0.050(4) Uani 1 1 d . U . . .
O53 O 0.6268(5) 0.750000 0.1375(13) 0.050(4) Uani 1 2 d S TU P . .
O54 O 0.6615(4) 0.6783(9) 0.0886(8) 0.050(3) Uani 1 1 d . U . . .
O55 O 0.7056(4) 0.6189(8) 0.0943(7) 0.039(2) Uani 1 1 d . U . . .
O56 O 0.7073(5) 0.750000 0.0977(10) 0.035(2) Uani 1 2 d S TU P . .
O57 O 0.6830(6) 0.750000 0.0132(11) 0.047(4) Uani 1 2 d S TU P . .
O58 O 0.6806(4) 0.6240(9) 0.0008(8) 0.052(4) Uani 1 1 d . U . . .
O59 O 0.7252(4) 0.6786(8) 0.0180(8) 0.049(3) Uani 1 1 d . U . . .
O60 O 0.7664(4) 0.6254(9) -0.0317(7) 0.052(4) Uani 1 1 d . U . . .
O61 O 0.7653(6) 0.750000 -0.0198(10) 0.049(4) Uani 1 2 d S TU P . .
O62 O 0.7597(5) 0.750000 0.0763(9) 0.037(2) Uani 1 2 d S TU P . .
O63 O 0.7599(4) 0.6183(8) 0.0725(7) 0.041(2) Uani 1 1 d . U . . .
O64 O 0.7996(4) 0.6790(8) 0.0323(7) 0.045(2) Uani 1 1 d . U . . .
O65 O 0.8458(4) 0.6227(9) 0.0399(8) 0.050(4) Uani 1 1 d . U . . .
O66 O 0.8415(5) 0.750000 0.0501(9) 0.039(3) Uani 1 2 d S TU P A .
O67 O 0.8094(5) 0.750000 0.1222(10) 0.035(3) Uani 1 2 d S TU P . .
O68 O 0.8107(3) 0.6189(8) 0.1198(7) 0.040(3) Uani 1 1 d . U . . .
O69 O 0.7939(5) 0.6908(14) 0.2013(13) 0.026(3) Uani 0.5 1 d . U . A 1
O70 O 0.8086(6) 0.5180(14) 0.1830(13) 0.031(6) Uani 0.5 1 d . U . . .
O71 O 0.7683(6) 0.5909(14) 0.1739(13) 0.028(3) Uani 0.5 1 d . U . A 1
O72 O 0.7792(7) 0.5154(17) 0.1271(16) 0.044(4) Uani 0.5 1 d . U . . .
O73 O 0.7397(6) 0.6913(14) 0.1511(12) 0.027(2) Uani 0.5 1 d . U . A 1
O74 O 0.7169(6) 0.5910(14) 0.1937(13) 0.027(2) Uani 0.5 1 d . U . A 2
O75 O 0.7371(8) 0.5160(17) 0.1157(15) 0.047(4) Uani 0.5 1 d . U . . .
O76 O 0.6997(6) 0.6886(14) 0.2390(14) 0.029(3) Uani 0.5 1 d . U . A 1
O77 O 0.7635(10) 0.403(2) 0.139(2) 0.074(5) Uani 0.5 1 d . U . . .
O79 O 0.9301(9) 0.706(3) 0.1400(18) 0.091(11) Uani 0.5 1 d . U . A .
O80 O 0.9013(4) 0.6196(14) 0.0761(10) 0.081(6) Uani 1 1 d . U . . .
O81 O 0.647(2) 0.483(6) 0.033(4) 0.091(16) Uani 0.25 1 d . U . C 1
O82 O 0.7133(6) 0.6914(13) 0.1809(12) 0.024(2) Uani 0.5 1 d . U . A 2
O83 O 0.7703(6) 0.6875(14) 0.1578(12) 0.027(2) Uani 0.5 1 d . U . A 2
O84 O 0.6999(7) 0.5172(15) 0.1556(15) 0.038(4) Uani 0.5 1 d . U . . .
O85 O 0.7071(7) 0.5922(14) 0.2408(13) 0.029(3) Uani 0.5 1 d . U . A 2
O86 O 0.7877(6) 0.5896(16) 0.2067(14) 0.032(4) Uani 0.5 1 d . U . A 2
O87 O 0.7422(6) 0.5889(14) 0.1636(14) 0.025(3) Uani 0.5 1 d . U . A 2
K78 K 0.750000 0.465(2) 0.250000 0.10(2) Uani 0.25 2 d S TU P A .
O1AA O 1.000000 0.500000 0.000000 0.053(4) Uani 1 4 d S TU P . .
K88 K 0.750000 0.713(2) 0.250000 0.0229(19) Uani 0.163(19) 2 d S TU P A .
O4AA O 0.8493(15) 0.524(4) -0.036(3) 0.043(18) Uiso 0.25 1 d . U . . .
K5AA K 1.000000 0.500000 -0.500000 0.11(3) Uani 0.25 4 d S TU P . .
O0AA O 0.635(3) 0.482(6) 0.206(5) 0.09(4) Uiso 0.25 1 d . U . A 2
O6AA O 0.9901(5) 0.5961(13) -0.2225(12) 0.024(2) Uani 0.5 1 d . U . A .
O2AA O 1.000000 0.750000 0.134(5) 0.05(3) Uiso 0.3333 4 d S TU P . .
O7AA O 0.5590(6) 0.5833(18) 0.3274(16) 0.039(6) Uani 0.5 1 d . U . B 1
O9AA O 1.000000 0.530(4) 0.213(3) 0.037(17) Uiso 0.3333 2 d S TU P A 1
O0BA O 0.9240(17) 0.736(6) 0.277(3) 0.11(4) Uiso 0.3333 1 d . U . . .
K3A K 1.000000 0.5703(7) 0.1017(5) 0.082(3) Uani 1 2 d S TU P A 1
O3AA O 0.9872(12) 0.594(3) 0.206(3) 0.058(17) Uiso 0.3333 1 d . U . F 2
O4 O 0.9165(15) 0.500000 0.000000 0.039(5) Uani 0.3333 2 d S TU P . .
K0A K 1.000000 0.715(2) -0.2165(19) 0.020(2) Uani 0.132(18) 2 d S TU P A .
K6 K 0.7234(17) 0.500000 0.000000 0.071(8) Uani 0.15(3) 2 d S TU P A 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'
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'
Mo Mo -1.6832 0.6857 '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 50.1(9) . .
O1 W1 O2 91.7(12) . .
O1 W1 O5 88.9(10) . .
O1 W1 K3A 105.4(8) . .
O2 W1 K0AA 139.7(9) . .
O2 W1 O5 167.6(9) . .
O2 W1 K3A 56.3(8) . .
O3 W1 K0AA 80.7(8) . .
O3 W1 O1 100.0(9) . .
O3 W1 O2 96.9(11) . .
O3 W1 O5 95.1(9) . .
O3 W1 O6 100.4(8) . .
O3 W1 K3A 41.2(7) . .
O5 W1 K0AA 45.6(7) . .
O5 W1 K3A 135.2(5) . .
O6 W1 K0AA 132.2(7) . .
O6 W1 O1 159.5(8) . .
O6 W1 O2 87.9(9) . .
O6 W1 O5 87.2(7) . .
O6 W1 K3A 91.4(6) . .
K3A W1 K0AA 115.6(5) . .
O5 W3 K0AA 48.0(7) . .
O5 W3 O10 82.5(8) . .
O10 W3 K0AA 93.9(6) . .
O8AA W3 K0AA 133.6(7) . .
O8AA W3 O5 86.1(7) . .
O8AA W3 O10 85.0(6) . .
O8AA W3 O14 158.1(8) . .
O8AA W3 O16 89.4(7) . .
O14 W3 K0AA 48.0(9) . .
O14 W3 O5 88.5(10) . .
O14 W3 O10 73.3(7) . .
O14 W3 O16 91.3(10) . .
O15 W3 K0AA 78.7(7) . .
O15 W3 O5 94.9(9) . .
O15 W3 O10 171.7(8) . .
O15 W3 O8AA 102.8(8) . .
O15 W3 O14 98.8(9) . .
O15 W3 O16 97.5(8) . .
O16 W3 K0AA 136.8(6) . .
O16 W3 O5 167.4(6) . .
O16 W3 O10 85.4(8) . .
O16 W5 O17 90.4(10) . .
O16 W5 O18 86.0(7) . .
O16 W5 O20 167.1(6) . .
O17 W5 O18 73.5(7) . .
O17 W5 O20 88.9(10) . .
O19 W5 O16 95.4(9) . .
O19 W5 O17 99.8(8) . .
O19 W5 O18 173.1(7) . .
O19 W5 O20 97.5(9) . .
O20 W5 O18 81.5(7) . .
O20 W6 O27 80.7(7) . .
O25 W6 O20 96.3(9) . .
O25 W6 O26 99.2(9) . .
O25 W6 O27 171.7(8) . .
O25 W6 O30 97.5(9) . .
O26 W6 O20 89.3(10) . .
O26 W6 O27 73.1(7) . .
O26 W6 O30 91.2(10) . .
O30 W6 O20 165.9(6) . .
O30 W6 O27 86.0(7) . .
O29 W7 O1BA 84.9(6) . 2_765
O29 W7 O30 89.2(7) . .
O29 W7 O32 158.6(8) . .
O29 W7 O33 85.7(8) . .
O30 W7 O1BA 84.9(8) . 2_765
O30 W7 O32 90.8(10) . .
O30 W7 O33 166.1(7) . .
O31 W7 O1BA 173.2(8) . 2_765
O31 W7 O29 101.6(8) . .
O31 W7 O30 97.2(8) . .
O31 W7 O32 99.6(9) . .
O31 W7 O33 96.6(9) . .
O32 W7 O1BA 73.8(7) . 2_765
O32 W7 O33 89.2(11) . .
O33 W7 O1BA 81.8(8) . 2_765
K3 Mo1 K0AA 105.1(5) . .
O1 Mo1 K0AA 50.1(9) . .
O1 Mo1 K3 147.7(7) . .
O1 Mo1 O2 91.7(12) . .
O1 Mo1 O5 88.9(10) . .
O2 Mo1 K0AA 139.7(9) . .
O2 Mo1 K3 103.9(9) . .
O2 Mo1 O5 167.6(9) . .
O3 Mo1 K0AA 80.7(8) . .
O3 Mo1 K3 50.7(7) . .
O3 Mo1 O1 100.0(9) . .
O3 Mo1 O2 96.9(11) . .
O3 Mo1 O5 95.1(9) . .
O3 Mo1 O6 100.4(8) . .
O5 Mo1 K0AA 45.6(7) . .
O5 Mo1 K3 81.7(7) . .
O6 Mo1 K0AA 132.2(7) . .
O6 Mo1 K3 51.2(5) . .
O6 Mo1 O1 159.5(8) . .
O6 Mo1 O2 87.9(9) . .
O6 Mo1 O5 87.2(7) . .
O5 Mo3 K0AA 48.0(7) . .
O5 Mo3 O10 82.5(8) . .
O10 Mo3 K0AA 93.9(6) . .
O8AA Mo3 K0AA 133.6(7) . .
O8AA Mo3 O5 86.1(7) . .
O8AA Mo3 O10 85.0(6) . .
O8AA Mo3 O14 158.1(8) . .
O8AA Mo3 O16 89.4(7) . .
O14 Mo3 K0AA 48.0(9) . .
O14 Mo3 O5 88.5(10) . .
O14 Mo3 O10 73.3(7) . .
O14 Mo3 O16 91.3(10) . .
O15 Mo3 K0AA 78.7(7) . .
O15 Mo3 O5 94.9(9) . .
O15 Mo3 O10 171.7(8) . .
O15 Mo3 O8AA 102.8(8) . .
O15 Mo3 O14 98.8(9) . .
O15 Mo3 O16 97.5(8) . .
O16 Mo3 K0AA 136.8(6) . .
O16 Mo3 O5 167.4(6) . .
O16 Mo3 O10 85.4(8) . .
O16 Mo5 O17 90.4(10) . .
O16 Mo5 O18 86.0(7) . .
O16 Mo5 O20 167.1(6) . .
O17 Mo5 O18 73.5(7) . .
O17 Mo5 O20 88.9(10) . .
O19 Mo5 O16 95.4(9) . .
O19 Mo5 O17 99.8(8) . .
O19 Mo5 O18 173.1(7) . .
O19 Mo5 O20 97.5(9) . .
O19 Mo5 O21 101.2(7) . .
O20 Mo5 O18 81.5(7) . .
O21 Mo5 O16 89.0(7) . .
O21 Mo5 O17 159.0(7) . .
O21 Mo5 O18 85.5(6) . .
O21 Mo5 O20 87.1(7) . .
O20 Mo6 O27 80.7(7) . .
O24 Mo6 O20 85.6(7) . .
O24 Mo6 O26 158.8(8) . .
O24 Mo6 O27 85.8(6) . .
O24 Mo6 O30 88.9(7) . .
O25 Mo6 O20 96.3(9) . .
O25 Mo6 O24 101.7(8) . .
O25 Mo6 O26 99.2(9) . .
O25 Mo6 O27 171.7(8) . .
O25 Mo6 O30 97.5(9) . .
O26 Mo6 O20 89.3(10) . .
O26 Mo6 O27 73.1(7) . .
O26 Mo6 O30 91.2(10) . .
O30 Mo6 O20 165.9(6) . .
O30 Mo6 O27 86.0(7) . .
O29 Mo7 O1BA 84.9(6) . 2_765
O29 Mo7 O30 89.2(7) . .
O29 Mo7 O32 158.6(8) . .
O29 Mo7 O33 85.7(8) . .
O30 Mo7 O1BA 84.9(8) . 2_765
O30 Mo7 O32 90.8(10) . .
O30 Mo7 O33 166.1(7) . .
O31 Mo7 O1BA 173.2(8) . 2_765
O31 Mo7 O29 101.6(8) . .
O31 Mo7 O30 97.2(8) . .
O31 Mo7 O32 99.6(9) . .
O31 Mo7 O33 96.6(9) . .
O32 Mo7 O1BA 73.8(7) . 2_765
O32 Mo7 O33 89.2(11) . .
O33 Mo7 O1BA 81.8(8) . 2_765
Na1 W4 K0A 9.1(6) . .
O13 W4 Na1 54.0(6) . .
O13 W4 O21 89.2(7) . .
O13 W4 O24 165.7(7) . .
O13 W4 O28 82.8(6) . .
O13 W4 K0A 59.2(8) . .
O21 W4 Na1 114.8(6) . .
O21 W4 O28 83.5(6) . .
O21 W4 K0A 109.2(7) . .
O22 W4 Na1 135.6(6) . .
O22 W4 O13 96.7(8) . .
O22 W4 O21 94.7(7) . .
O22 W4 O23 98.9(7) . .
O22 W4 O24 97.0(7) . .
O22 W4 O28 178.2(7) . .
O22 W4 K0A 144.6(8) . .
O23 W4 Na1 54.0(6) . .
O23 W4 O13 88.8(7) . .
O23 W4 O21 166.4(6) . .
O23 W4 O24 92.9(7) . .
O23 W4 O28 82.9(6) . .
O23 W4 K0A 58.6(7) . .
O24 W4 Na1 116.7(6) . .
O24 W4 O21 85.8(7) . .
O24 W4 O28 83.3(6) . .
O24 W4 K0A 110.0(8) . .
O28 W4 Na1 45.4(5) . .
O28 W4 K0A 36.3(7) . .
Na1 W2 K3 160.7(5) . .
O6 W2 K3 53.6(5) . .
O6 W2 Na1 116.1(6) . .
O6 W2 O8 83.8(6) . .
O6 W2 K3A 94.3(5) . 9_765
O8 W2 K3 135.6(4) . .
O8 W2 Na1 45.2(6) . .
O8 W2 K3A 143.2(4) . 9_765
O9 W2 K3 106.3(8) . .
O9 W2 Na1 55.2(7) . .
O9 W2 O6 90.7(8) . .
O9 W2 O8 83.8(8) . .
O9 W2 O8AA 167.0(8) . .
O9 W2 O13 89.3(8) . .
O9 W2 K3A 59.5(7) . 9_765
O8AA W2 K3 81.5(6) . .
O8AA W2 Na1 115.7(5) . .
O8AA W2 O6 85.5(7) . .
O8AA W2 O8 83.4(6) . .
O8AA W2 K3A 133.2(5) . 9_765
O12 W2 K3 44.6(6) . .
O12 W2 Na1 134.7(7) . .
O12 W2 O6 96.5(8) . .
O12 W2 O8 179.6(8) . .
O12 W2 O9 96.5(9) . .
O12 W2 O8AA 96.3(7) . .
O12 W2 O13 97.0(8) . .
O12 W2 K3A 37.0(6) . 9_765
O13 W2 K3 139.0(5) . .
O13 W2 Na1 53.8(6) . .
O13 W2 O6 166.4(7) . .
O13 W2 O8 82.7(6) . .
O13 W2 O8AA 91.5(7) . .
O13 W2 K3A 97.4(5) . 9_765
Na1 W8 K0A 9.2(7) . .
O23 W8 Na1 52.9(5) . .
O23 W8 Na1 52.9(5) 12_755 .
O23 W8 O23 87.0(9) . 12_755
O23 W8 O35 80.7(6) . .
O23 W8 O35 80.7(6) 12_755 .
O23 W8 K0A 58.0(6) 12_755 .
O23 W8 K0A 58.0(6) . .
O29 W8 Na1 114.3(5) . .
O29 W8 Na1 114.3(5) 12_755 .
O29 W8 O23 91.5(7) . .
O29 W8 O23 91.5(7) 12_755 12_755
O29 W8 O23 164.0(6) . 12_755
O29 W8 O23 164.0(6) 12_755 .
O29 W8 O29 85.6(10) . 12_755
O29 W8 O35 83.3(6) 12_755 .
O29 W8 O35 83.3(6) . .
O29 W8 K0A 108.0(7) . .
O29 W8 K0A 108.0(7) 12_755 .
O34 W8 Na1 135.9(9) . .
O34 W8 O23 98.8(7) . 12_755
O34 W8 O23 98.8(7) . .
O34 W8 O29 97.3(7) . .
O34 W8 O29 97.3(7) . 12_755
O34 W8 O35 179.2(10) . .
O34 W8 K0A 145.1(11) . .
O35 W8 Na1 43.3(7) . .
O35 W8 K0A 34.1(9) . .
O38 W9 O45 101.9(8) . .
O38 W9 O46 96.9(9) . .
O38 W9 O47 98.4(9) . .
O38 W9 O48 96.5(10) . .
O38 W9 O49 171.2(8) . .
O45 W9 O46 86.9(8) . .
O45 W9 O47 159.7(8) . .
O45 W9 O48 89.4(9) . .
O45 W9 O49 86.9(7) . .
O46 W9 O49 83.9(9) . .
O47 W9 O46 90.5(11) . .
O47 W9 O49 72.8(7) . .
O48 W9 O46 166.6(7) . .
O48 W9 O47 88.5(11) . .
O48 W9 O49 83.0(9) . .
O48 W10 O50 83.2(9) . .
O51 W10 O48 87.3(8) . .
O51 W10 O50 86.0(7) . .
O51 W10 O53 159.2(8) . .
O51 W10 O54 88.5(9) . .
O52 W10 O48 97.3(9) . .
O52 W10 O50 172.5(8) . .
O52 W10 O51 101.4(8) . .
O52 W10 O53 99.4(9) . .
O52 W10 O54 95.8(10) . .
O53 W10 O48 89.5(12) . .
O53 W10 O50 73.2(8) . .
O53 W10 O54 90.0(12) . .
O54 W10 O48 166.8(8) . .
O54 W10 O50 84.0(9) . .
O54 W11 O56 84.6(9) . .
O55 W11 O54 87.2(8) . .
O55 W11 O56 86.0(7) . .
O55 W11 O57 160.1(9) . .
O55 W11 O59 87.8(9) . .
O57 W11 O54 90.0(11) . .
O57 W11 O56 74.2(8) . .
O58 W11 O54 97.4(10) . .
O58 W11 O55 101.6(8) . .
O58 W11 O56 172.2(8) . .
O58 W11 O57 98.2(9) . .
O58 W11 O59 95.7(10) . .
O59 W11 O54 166.7(8) . .
O59 W11 O56 82.8(9) . .
O59 W11 O57 90.6(11) . .
O59 W12 O62 82.7(9) . .
O60 W12 O59 97.7(10) . .
O60 W12 O61 98.0(10) . .
O60 W12 O62 171.9(8) . .
O60 W12 O63 101.5(9) . .
O60 W12 O64 95.4(10) . .
O61 W12 O59 90.6(11) . .
O61 W12 O62 73.9(8) . .
O61 W12 O64 89.9(11) . .
O63 W12 O59 86.3(8) . .
O63 W12 O61 160.5(9) . .
O63 W12 O62 86.6(7) . .
O63 W12 O64 88.8(8) . .
O64 W12 O59 166.7(8) . .
O64 W12 O62 84.6(8) . .
O46 W13 K0AA 56.3(7) 7_645 .
O46 W13 O64 167.5(7) 7_645 .
O46 W13 O67 82.8(9) 7_645 .
O64 W13 K0AA 128.7(7) . .
O64 W13 O67 84.9(8) . .
O65 W13 K0AA 75.4(8) . .
O65 W13 O46 97.1(9) . 7_645
O65 W13 O64 95.4(9) . .
O65 W13 O66 99.3(9) . .
O65 W13 O67 172.8(8) . .
O65 W13 O68 101.3(8) . .
O66 W13 K0AA 45.1(9) . .
O66 W13 O46 89.8(10) . 7_645
O66 W13 O64 89.3(10) . .
O66 W13 O67 73.5(7) . .
O67 W13 K0AA 98.8(6) . .
O68 W13 K0AA 141.5(8) . .
O68 W13 O46 86.8(8) . 7_645
O68 W13 O64 89.7(8) . .
O68 W13 O66 159.4(8) . .
O68 W13 O67 85.9(7) . .
O38 Mo9 O45 101.9(8) . .
O38 Mo9 O46 96.9(9) . .
O38 Mo9 O47 98.4(9) . .
O38 Mo9 O48 96.5(10) . .
O38 Mo9 O49 171.2(8) . .
O45 Mo9 O46 86.9(8) . .
O45 Mo9 O47 159.7(8) . .
O45 Mo9 O48 89.4(9) . .
O45 Mo9 O49 86.9(7) . .
O46 Mo9 O49 83.9(9) . .
O47 Mo9 O46 90.5(11) . .
O47 Mo9 O49 72.8(7) . .
O48 Mo9 O46 166.6(7) . .
O48 Mo9 O47 88.5(11) . .
O48 Mo9 O49 83.0(9) . .
O48 Mo10 O50 83.2(9) . .
O51 Mo10 O48 87.3(8) . .
O51 Mo10 O50 86.0(7) . .
O51 Mo10 O53 159.2(8) . .
O51 Mo10 O54 88.5(9) . .
O52 Mo10 O48 97.3(9) . .
O52 Mo10 O50 172.5(8) . .
O52 Mo10 O51 101.4(8) . .
O52 Mo10 O53 99.4(9) . .
O52 Mo10 O54 95.8(10) . .
O53 Mo10 O48 89.5(12) . .
O53 Mo10 O50 73.2(8) . .
O53 Mo10 O54 90.0(12) . .
O54 Mo10 O48 166.8(8) . .
O54 Mo10 O50 84.0(9) . .
O54 Mo11 O56 84.6(9) . .
O55 Mo11 O54 87.2(8) . .
O55 Mo11 O56 86.0(7) . .
O55 Mo11 O57 160.1(9) . .
O55 Mo11 O59 87.8(9) . .
O57 Mo11 O54 90.0(11) . .
O57 Mo11 O56 74.2(8) . .
O58 Mo11 O54 97.4(10) . .
O58 Mo11 O55 101.6(8) . .
O58 Mo11 O56 172.2(8) . .
O58 Mo11 O57 98.2(9) . .
O58 Mo11 O59 95.7(10) . .
O59 Mo11 O54 166.7(8) . .
O59 Mo11 O56 82.8(9) . .
O59 Mo11 O57 90.6(11) . .
O59 Mo12 O62 82.7(9) . .
O60 Mo12 O59 97.7(10) . .
O60 Mo12 O61 98.0(10) . .
O60 Mo12 O62 171.9(8) . .
O60 Mo12 O63 101.5(9) . .
O60 Mo12 O64 95.4(10) . .
O61 Mo12 O59 90.6(11) . .
O61 Mo12 O62 73.9(8) . .
O61 Mo12 O64 89.9(11) . .
O63 Mo12 O59 86.3(8) . .
O63 Mo12 O61 160.5(9) . .
O63 Mo12 O62 86.6(7) . .
O63 Mo12 O64 88.8(8) . .
O64 Mo12 O59 166.7(8) . .
O64 Mo12 O62 84.6(8) . .
O46 Mo13 K0AA 56.3(7) 7_645 .
O46 Mo13 O64 167.5(7) 7_645 .
O46 Mo13 O67 82.8(9) 7_645 .
O64 Mo13 K0AA 128.7(7) . .
O64 Mo13 O67 84.9(8) . .
O65 Mo13 K0AA 75.4(8) . .
O65 Mo13 O46 97.1(9) . 7_645
O65 Mo13 O64 95.4(9) . .
O65 Mo13 O66 99.3(9) . .
O65 Mo13 O67 172.8(8) . .
O65 Mo13 O68 101.3(8) . .
O66 Mo13 K0AA 45.1(9) . .
O66 Mo13 O46 89.8(10) . 7_645
O66 Mo13 O64 89.3(10) . .
O66 Mo13 O67 73.5(7) . .
O67 Mo13 K0AA 98.8(6) . .
O68 Mo13 K0AA 141.5(8) . .
O68 Mo13 O46 86.8(8) . 7_645
O68 Mo13 O64 89.7(8) . .
O68 Mo13 O66 159.4(8) . .
O68 Mo13 O67 85.9(7) . .
W16 W14 Na2 75.35(9) 7_645 .
W16 W14 O45 61.3(6) 7_645 7_645
W16 W14 O68 150.1(6) 7_645 .
W16 W14 O69 85.5(9) 7_645 .
W16 W14 K88 77.00(12) 7_645 .
Na2 W14 K88 9.4(5) . .
O45 W14 Na2 115.6(6) 7_645 .
O45 W14 O69 83.4(9) 7_645 .
O45 W14 K88 109.5(6) 7_645 .
O68 W14 Na2 115.6(5) . .
O68 W14 O45 89.7(8) . 7_645
O68 W14 O69 84.3(10) . .
O68 W14 K88 109.5(6) . .
O69 W14 Na2 46.2(8) . .
O69 W14 K88 36.8(9) . .
O70 W14 W16 94.0(12) . 7_645
O70 W14 Na2 133.1(11) . .
O70 W14 O45 96.9(13) . 7_645
O70 W14 O68 96.3(12) . .
O70 W14 O69 179.3(15) . .
O70 W14 O71 97.2(15) . .
O70 W14 K88 142.6(12) . .
O71 W14 W16 116.3(11) . 7_645
O71 W14 Na2 52.4(11) . .
O71 W14 O45 165.9(11) . 7_645
O71 W14 O68 90.1(12) . .
O71 W14 O69 82.5(12) . .
O71 W14 K88 57.5(11) . .
Na2 W14B K88 9.4(5) . .
O63 W14B Na2 114.2(6) . .
O63 W14B O83 83.6(10) . .
O63 W14B K88 108.4(6) . .
O68 W14B Na2 113.7(6) . .
O68 W14B O63 94.3(8) . .
O68 W14B O83 84.8(10) . .
O68 W14B K88 107.9(6) . .
O72 W14B Na2 132.3(13) . .
O72 W14B O63 98.4(15) . .
O72 W14B O68 96.6(13) . .
O72 W14B O83 177.5(16) . .
O72 W14B O86 95.3(18) . .
O72 W14B O87 96.9(15) . .
O72 W14B K88 141.7(14) . .
O83 W14B Na2 45.2(9) . .
O83 W14B K88 35.8(10) . .
O86 W14B Na2 53.5(10) . .
O86 W14B O63 166.2(12) . .
O86 W14B O68 86.3(12) . .
O86 W14B O83 82.7(14) . .
O86 W14B K88 58.5(10) . .
O87 W14B Na2 54.3(11) . .
O87 W14B O63 86.2(13) . .
O87 W14B O68 166.3(11) . .
O87 W14B O83 81.6(12) . .
O87 W14B O86 89.9(15) . .
O87 W14B K88 59.3(11) . .
Na2 W15 K88 9.4(5) . .
Na2 W15 K6 179.4(8) . .
O55 W15 Na2 114.9(5) . .
O55 W15 O73 84.1(10) . .
O55 W15 K88 109.0(6) . .
O55 W15 K6 65.1(12) . .
O63 W15 Na2 114.6(6) . .
O63 W15 O55 93.0(8) . .
O63 W15 O73 84.2(10) . .
O63 W15 K88 108.8(6) . .
O63 W15 K6 66.0(11) . .
O71 W15 Na2 51.9(10) . .
O71 W15 O55 165.3(10) . .
O71 W15 O63 88.2(12) . .
O71 W15 O73 81.4(12) . .
O71 W15 K88 57.0(10) . .
O71 W15 K6 128.1(15) . .
O73 W15 Na2 46.0(9) . .
O73 W15 K88 36.6(9) . .
O73 W15 K6 134.5(8) . .
O75 W15 Na2 132.8(14) . .
O75 W15 O55 98.1(15) . .
O75 W15 O63 95.2(15) . .
O75 W15 O71 96.4(17) . .
O75 W15 O73 177.8(17) . .
O75 W15 K88 142.2(14) . .
O75 W15 K6 46.8(14) . .
K6 W15 K88 171.1(5) . .
K2B W15B K88 172.7(10) . .
Na2 W15B K2B 177.9(9) . .
Na2 W15B K88 9.4(5) . .
O51 W15B K2B 67.3(9) . .
O51 W15B Na2 113.7(6) . .
O51 W15B O82 83.9(9) . .
O51 W15B K88 107.9(6) . .
O55 W15B K2B 66.4(9) . .
O55 W15B Na2 115.3(6) . .
O55 W15B O51 92.3(8) . .
O55 W15B O82 83.7(9) . .
O55 W15B K88 109.3(6) . .
O74 W15B K2B 144(2) . .
O74 W15B Na2 33.7(19) . .
O74 W15B O51 124(2) . .
O74 W15B O55 137(2) . .
O74 W15B O82 79(2) . .
O74 W15B O84 101(2) . .
O74 W15B O85 38(2) . .
O74 W15B O87 52(2) . .
O74 W15B K88 43(2) . .
O82 W15B K2B 136.3(11) . .
O82 W15B Na2 45.8(8) . .
O82 W15B K88 36.4(9) . .
O84 W15B K2B 44.1(16) . .
O84 W15B Na2 133.9(14) . .
O84 W15B O51 97.4(13) . .
O84 W15B O55 95.6(14) . .
O84 W15B O82 178.5(15) . .
O84 W15B O85 99.8(16) . .
O84 W15B O87 96.2(15) . .
O84 W15B K88 143.2(14) . .
O85 W15B K2B 126.4(12) . .
O85 W15B Na2 52.3(10) . .
O85 W15B O51 86.2(12) . .
O85 W15B O55 164.6(11) . .
O85 W15B O82 80.9(12) . .
O85 W15B O87 90.0(15) . .
O85 W15B K88 57.0(10) . .
O87 W15B K2B 124.9(12) . .
O87 W15B Na2 54.5(10) . .
O87 W15B O51 166.2(10) . .
O87 W15B O55 87.9(12) . .
O87 W15B O82 82.5(12) . .
O87 W15B K88 59.4(10) . .
W14 W16 Na2 73.45(10) 7_645 .
W14 W16 O45 60.5(6) 7_645 .
W14 W16 O51 153.0(6) 7_645 .
W14 W16 O76 84.7(10) 7_645 .
W14 W16 K88 75.21(13) 7_645 .
Na2 W16 K88 9.4(5) . .
O44 W16 W14 95.1(13) . 7_645
O44 W16 Na2 132.8(13) . .
O44 W16 O45 97.7(16) . .
O44 W16 O51 96.8(13) . .
O44 W16 O76 178.6(16) . .
O44 W16 K88 142.2(14) . .
O45 W16 Na2 113.9(6) . .
O45 W16 O76 83.4(10) . .
O45 W16 K88 108.1(6) . .
O51 W16 Na2 114.1(5) . .
O51 W16 O45 93.8(8) . .
O51 W16 O76 83.9(10) . .
O51 W16 K88 108.2(6) . .
O76 W16 Na2 45.8(9) . .
O76 W16 K88 36.4(9) . .
O22 Fe1 O37 91.0(11) 6_655 .
O22 Fe1 O38 173.5(8) 6_655 .
O22 Fe1 O39 83.3(18) 6_655 .
O22 Fe1 O40 89(2) 6_655 .
O38 Fe1 O37 87.4(12) . .
O38 Fe1 O39 90.9(18) . .
O38 Fe1 O40 93(2) . .
O39 Fe1 O37 104(2) . .
O39 Fe1 O40 82(3) . .
O40 Fe1 O37 174(2) . .
O7AA Fe1 O22 97.2(11) . 6_655
O7AA Fe1 O37 83.2(17) . .
O7AA Fe1 O38 88.9(11) . .
O7AA Fe1 O39 173(2) . .
O7AA Fe1 O40 90(2) . .
Fe4 Fe2 K2B 94.7(18) . .
O39 Fe2 Fe4 127(5) . .
O39 Fe2 K2B 121(5) . .
O0AA Fe2 Fe4 24(10) . .
O0AA Fe2 K2B 72(10) . .
O0AA Fe2 O39 145(10) . .
O15 Fe3 Fe3 130.2(15) . 4_565
O15 Fe3 O65 92.6(11) . .
O15 Fe3 O4AA 161(2) . 4_565
O65 Fe3 Fe3 132.7(10) . 4_565
O65 Fe3 O4AA 92(2) . 4_565
O4AA Fe3 Fe3 41(2) 4_565 4_565
O4AA Fe3 Fe3 62(3) . 4_565
O4AA Fe3 O15 98(3) . .
O4AA Fe3 O65 98(3) . .
O4AA Fe3 O4AA 63(4) . 4_565
O2BA Fe4 Fe2 157(4) . .
O2BA Fe4 O0AA 163(5) . .
O19 Fe4 Fe2 94.8(18) 6_655 .
O19 Fe4 O2BA 84(3) 6_655 .
O19 Fe4 O44 166(3) 6_655 .
O19 Fe4 O0AA 98(4) 6_655 .
O43 Fe4 Fe2 175(5) . .
O43 Fe4 O2BA 21(5) . .
O43 Fe4 O19 89(5) . 6_655
O43 Fe4 O44 96(5) . .
O43 Fe4 O0AA 172(6) . .
O44 Fe4 Fe2 80.1(19) . .
O44 Fe4 O2BA 96(4) . .
O44 Fe4 O0AA 78(4) . .
O0AA Fe4 Fe2 7(4) . .
O2BA Fe4B O19 108(5) . 6_655
O2BA Fe4B O43 33(6) . .
O2BA Fe4B O70 77(5) . 7_645
O43 Fe4B O19 95(6) . 6_655
O43 Fe4B O70 91(6) . 7_645
O70 Fe4B O19 174.2(18) 7_645 6_655
O60 Fe5 K6 74.6(10) 4_565 .
O72 Fe5 O60 176(2) . 4_565
O72 Fe5 K6 102.0(14) . .
O77 Fe5 O60 97(2) . 4_565
O77 Fe5 O72 86(2) . .
O77 Fe5 K6 117(2) . .
O75 Fe5B O60 170(2) . 4_565
O77 Fe5B O60 93(2) . 4_565
O77 Fe5B O75 95(2) . .
O1 K0AA W13 155.10(19) . .
O1 K0AA O46 140.2(10) . 7_645
O1 K0AA O46 140.2(10) . 13_665
O5 K0AA W13 109.5(7) . .
O5 K0AA W13 139.5(12) 11_575 .
O5 K0AA O1 51.0(7) . .
O5 K0AA O1 51.0(7) 11_575 .
O5 K0AA O5 61.2(8) . 11_575
O5 K0AA O14 52.2(7) . .
O5 K0AA O14 52.2(7) 11_575 .
O5 K0AA O46 168.0(14) 11_575 7_645
O5 K0AA O46 120.3(5) 11_575 13_665
O5 K0AA O46 168.0(14) . 13_665
O5 K0AA O46 120.3(5) . 7_645
O14 K0AA W13 89.8(9) . .
O14 K0AA O1 87.7(9) . .
O14 K0AA O46 118.0(11) . 13_665
O14 K0AA O46 118.0(11) . 7_645
O46 K0AA W13 61.0(6) 13_665 .
O46 K0AA W13 29.0(4) 7_645 .
O46 K0AA O46 55.5(7) 7_645 13_665
O66 K0AA W13 27.6(3) . .
O66 K0AA O1 164.8(14) . .
O66 K0AA O5 116.9(12) . .
O66 K0AA O5 116.9(12) . 11_575
O66 K0AA O14 77.1(11) . .
O66 K0AA O46 51.2(7) . 13_665
O66 K0AA O46 51.2(7) . 7_645
O79 K0AA W13 128.3(13) 11_575 .
O79 K0AA W13 109.6(12) . .
O79 K0AA O1 60.6(11) . .
O79 K0AA O1 60.6(11) 11_575 .
O79 K0AA O5 109.6(14) 11_575 .
O79 K0AA O5 109.6(14) . 11_575
O79 K0AA O5 89.4(13) . .
O79 K0AA O5 89.4(13) 11_575 11_575
O79 K0AA O14 141.5(13) . .
O79 K0AA O14 141.5(13) 11_575 .
O79 K0AA O46 100.5(14) . 13_665
O79 K0AA O46 82.4(12) . 7_645
O79 K0AA O46 100.5(14) 11_575 7_645
O79 K0AA O46 82.4(12) 11_575 13_665
O79 K0AA O66 133.1(14) 11_575 .
O79 K0AA O66 133.1(14) . .
O79 K0AA O79 40(3) 11_575 .
O79 K0AA O80 101.6(18) . 11_575
O79 K0AA O80 61.9(16) 11_575 11_575
O79 K0AA O80 101.6(18) 11_575 .
O79 K0AA O80 61.9(16) . .
O80 K0AA W13 68.9(6) . .
O80 K0AA W13 118.0(9) 11_575 .
O80 K0AA O1 86.9(8) . .
O80 K0AA O1 86.9(8) 11_575 .
O80 K0AA O5 123.3(10) 11_575 .
O80 K0AA O5 62.7(7) 11_575 11_575
O80 K0AA O5 123.3(10) . 11_575
O80 K0AA O5 62.7(7) . .
O80 K0AA O14 97.6(9) 11_575 .
O80 K0AA O14 97.6(9) . .
O80 K0AA O46 116.3(10) . 13_665
O80 K0AA O46 61.4(6) 11_575 13_665
O80 K0AA O46 61.4(6) . 7_645
O80 K0AA O46 116.3(10) 11_575 7_645
O80 K0AA O66 95.0(8) . .
O80 K0AA O66 95.0(8) 11_575 .
O80 K0AA O80 163.3(19) 11_575 .
O41 K1AA O41 91(2) . 4_565
O42 K1AA O41 77(2) 4_565 4_565
O42 K1AA O41 77(2) . .
O42 K1AA O41 91(4) 4_565 .
O42 K1AA O41 91(4) . 4_565
O42 K1AA O42 163(6) 4_565 .
O42 K1AA O81 105(5) . .
O42 K1AA O81 105(5) 4_565 4_565
O42 K1AA O81 91(4) 4_565 .
O42 K1AA O81 91(4) . 4_565
O81 K1AA O41 109(3) 4_565 4_565
O81 K1AA O41 157(3) 4_565 .
O81 K1AA O41 157(3) . 4_565
O81 K1AA O41 109(3) . .
O81 K1AA O81 54(6) 4_565 .
Fe2 K2B W15B 77.9(10) . .
O0CA K2B W15B 129(6) . .
O0CA K2B Fe2 78(5) . .
O0CA K2B O84 147(5) . .
O84 K2B W15B 23.1(7) . .
O84 K2B Fe2 76.7(14) . .
O84 K2B K2B 130.7(11) . 4_565
Mo1 K3 Mo1 158.9(9) 4_565 .
W2 K3 Mo1 117.0(3) . 4_565
W2 K3 Mo1 58.27(10) 4_565 4_565
W2 K3 Mo1 58.27(10) . .
W2 K3 Mo1 117.0(3) 4_565 .
W2 K3 W2 157.4(9) . 4_565
O3 K3 Mo1 25.9(3) . .
O3 K3 Mo1 148.9(7) 4_565 .
O3 K3 Mo1 148.9(7) . 4_565
O3 K3 Mo1 25.9(3) 4_565 4_565
O3 K3 W2 93.2(4) . 4_565
O3 K3 W2 84.1(4) 4_565 4_565
O3 K3 W2 84.1(4) . .
O3 K3 W2 93.2(4) 4_565 .
O3 K3 O3 166.4(14) . 4_565
O6 K3 Mo1 138.5(8) . 4_565
O6 K3 Mo1 138.5(8) 4_565 .
O6 K3 Mo1 29.0(3) 4_565 4_565
O6 K3 Mo1 29.0(3) . .
O6 K3 W2 31.1(3) 4_565 4_565
O6 K3 W2 31.1(3) . .
O6 K3 W2 136.2(8) . 4_565
O6 K3 W2 136.2(8) 4_565 .
O6 K3 O3 54.2(5) . .
O6 K3 O3 120.2(7) 4_565 .
O6 K3 O3 120.2(7) . 4_565
O6 K3 O3 54.2(5) 4_565 4_565
O6 K3 O6 139.6(12) 4_565 .
O12 K3 Mo1 84.1(4) . .
O12 K3 Mo1 84.1(4) 4_565 4_565
O12 K3 Mo1 92.5(4) . 4_565
O12 K3 Mo1 92.5(4) 4_565 .
O12 K3 W2 25.8(3) 4_565 4_565
O12 K3 W2 146.7(7) . 4_565
O12 K3 W2 146.7(7) 4_565 .
O12 K3 W2 25.8(3) . .
O12 K3 O3 67.7(5) . 4_565
O12 K3 O3 109.9(5) 4_565 4_565
O12 K3 O3 109.9(5) . .
O12 K3 O3 67.7(5) 4_565 .
O12 K3 O6 116.4(7) . 4_565
O12 K3 O6 56.1(5) . .
O12 K3 O6 116.4(7) 4_565 .
O12 K3 O6 56.1(5) 4_565 4_565
O12 K3 O12 161.2(14) 4_565 .
O1AA K3 Mo1 79.5(4) . 4_565
O1AA K3 Mo1 79.5(4) . .
O1AA K3 W2 78.7(5) . .
O1AA K3 W2 78.7(5) . 4_565
O1AA K3 O3 83.2(7) . 4_565
O1AA K3 O3 83.2(7) . .
O1AA K3 O6 69.8(6) . .
O1AA K3 O6 69.8(6) . 4_565
O1AA K3 O12 80.6(7) . 4_565
O1AA K3 O12 80.6(7) . .
O4 K3 Mo1 100.5(4) . .
O4 K3 Mo1 100.5(4) . 4_565
O4 K3 W2 101.3(5) . .
O4 K3 W2 101.3(5) . 4_565
O4 K3 O3 96.8(7) . .
O4 K3 O3 96.8(7) . 4_565
O4 K3 O6 110.2(6) . 4_565
O4 K3 O6 110.2(6) . .
O4 K3 O12 99.4(7) . .
O4 K3 O12 99.4(7) . 4_565
O4 K3 O1AA 180.0 . .
O8 P1 O8 110.5(12) . 11_575
O8 P1 O10 110.0(8) 11_575 .
O8 P1 O10 110.0(8) . .
O8 P1 K0A 43.0(10) 11_575 2_765
O8 P1 K0A 43.0(10) . .
O8 P1 K0A 67.5(10) . 2_765
O8 P1 K0A 67.5(10) 11_575 .
O10 P1 K0A 124.8(11) . 2_765
O10 P1 K0A 124.8(11) . .
K0A P1 K0A 24.4(17) . 2_765
O18 P2 O27 106.6(12) . .
O18 P2 O28 110.9(8) . 11_575
O18 P2 O28 110.9(8) . .
O18 P2 K0A 126.3(12) . .
O18 P2 K0A 126.3(12) . 2_765
O27 P2 O28 108.2(8) . .
O27 P2 O28 108.2(8) . 11_575
O27 P2 K0A 125.1(11) . .
O27 P2 K0A 125.1(11) . 2_765
O28 P2 O28 111.9(11) 11_575 .
O28 P2 K0A 68.3(10) . 2_765
O28 P2 K0A 43.6(10) . .
O28 P2 K0A 68.3(10) 11_575 .
O28 P2 K0A 43.6(10) 11_575 2_765
K0A P2 K0A 24.8(17) 2_765 .
O1BA P3 O1BA 108.4(19) 2_765 .
O1BA P3 O35 109.3(6) 2_765 .
O1BA P3 O35 109.3(6) 2_765 2_765
O1BA P3 O35 109.3(6) . 2_765
O1BA P3 O35 109.3(6) . .
O1BA P3 K0A 124.8(9) 2_765 2_765
O1BA P3 K0A 124.8(9) 2_765 .
O1BA P3 K0A 124.8(9) . .
O1BA P3 K0A 124.8(9) . 2_765
O35 P3 O35 111.1(16) 2_765 .
O35 P3 K0A 43.0(12) 2_765 2_765
O35 P3 K0A 43.0(12) . .
O35 P3 K0A 68.1(12) . 2_765
O35 P3 K0A 68.1(12) 2_765 .
K0A P3 K0A 25.0(17) 2_765 .
P6 P4 K88 72.4(6) 13_665 13_665
P6 P4 K88 72.4(6) 13_665 .
O49 P4 P6 50.7(11) . 13_665
O49 P4 O50 117.5(15) . .
O49 P4 K88 121.8(12) . .
O49 P4 K88 121.8(12) . 13_665
O50 P4 P6 168.2(13) . 13_665
O50 P4 K88 119.0(11) . .
O50 P4 K88 119.0(11) . 13_665
O76 P4 P6 80.9(15) . 13_665
O76 P4 P6 80.9(15) 11_575 13_665
O76 P4 O49 106.9(15) . .
O76 P4 O49 106.9(15) 11_575 .
O76 P4 O50 105.0(16) 11_575 .
O76 P4 O50 105.0(16) . .
O76 P4 O76 116(2) . 11_575
O76 P4 K88 45.0(14) 11_575 13_665
O76 P4 K88 70.9(14) . 13_665
O76 P4 K88 70.9(14) 11_575 .
O76 P4 K88 45.0(14) . .
K88 P4 K88 25.9(14) 13_665 .
O50 P4B O56 117.9(16) . .
O50 P4B K88 120.8(12) . .
O50 P4B K88 120.8(12) . 13_665
O56 P4B K88 119.6(11) . .
O56 P4B K88 119.6(11) . 13_665
O82 P4B O50 108.2(14) 11_575 .
O82 P4B O50 108.2(14) . .
O82 P4B O56 105.7(15) 11_575 .
O82 P4B O56 105.7(15) . .
O82 P4B O82 111(2) 11_575 .
O82 P4B K88 68.4(14) 11_575 .
O82 P4B K88 42.7(14) . .
K88 P4B K88 25.7(14) 13_665 .
O56 P5 O62 116.8(17) . .
O56 P5 K88 121.7(12) . .
O56 P5 K88 121.7(12) . 13_665
O62 P5 K88 119.7(12) . .
O62 P5 K88 119.7(12) . 13_665
O73 P5 O56 107.8(15) 11_575 .
O73 P5 O56 107.8(15) . .
O73 P5 O62 106.1(15) . .
O73 P5 O62 106.1(15) 11_575 .
O73 P5 O73 113(3) . 11_575
O73 P5 K88 43.3(15) 11_575 13_665
O73 P5 K88 69.2(15) . 13_665
O73 P5 K88 43.3(15) . .
O73 P5 K88 69.2(15) 11_575 .
K88 P5 K88 25.8(14) 13_665 .
O62 P5B O67 119.9(16) . .
O62 P5B K88 119.9(11) . .
O62 P5B K88 119.9(11) . 13_665
O67 P5B K88 118.5(12) . 13_665
O67 P5B K88 118.5(12) . .
O83 P5B O62 105.2(15) . .
O83 P5B O62 105.2(15) 11_575 .
O83 P5B O67 106.3(14) 11_575 .
O83 P5B O67 106.3(14) . .
O83 P5B K88 44.3(14) . .
O83 P5B K88 70.0(14) 11_575 .
K88 P5B K88 25.7(14) 13_665 .
P4 P6 K88 72.8(6) 13_665 13_665
P4 P6 K88 72.8(6) 13_665 .
O49 P6 P4 49.3(11) 13_665 13_665
O49 P6 K88 120.7(12) 13_665 .
O49 P6 K88 120.7(12) 13_665 13_665
O67 P6 P4 164.9(14) . 13_665
O67 P6 O49 115.5(16) . 13_665
O67 P6 K88 121.9(12) . .
O67 P6 K88 121.9(12) . 13_665
O69 P6 P4 79.2(14) . 13_665
O69 P6 P4 79.2(14) 11_575 13_665
O69 P6 O49 105.8(15) 11_575 13_665
O69 P6 O49 105.8(15) . 13_665
O69 P6 O67 108.5(15) . .
O69 P6 O67 108.5(15) 11_575 .
O69 P6 O69 113(2) . 11_575
O69 P6 K88 69.5(14) 11_575 .
O69 P6 K88 43.5(14) . .
O69 P6 K88 69.5(14) . 13_665
O69 P6 K88 43.5(14) 11_575 13_665
K88 P6 K88 26.0(14) 13_665 .
O8 Na1 O8 70.7(9) . 12_755
O8 Na1 O13 57.3(6) 12_755 12_755
O8 Na1 O13 57.3(6) . .
O8 Na1 O13 107.2(9) 12_755 .
O8 Na1 O13 107.2(9) . 12_755
O8 Na1 O23 107.1(6) 12_755 12_755
O8 Na1 O23 144.0(11) . 12_755
O13 Na1 O13 92.5(10) . 12_755
O13 Na1 O23 91.6(9) . 12_755
O13 Na1 O23 51.9(6) 12_755 12_755
O28 Na1 O8 72.7(5) . .
O28 Na1 O8 142.7(10) 12_755 .
O28 Na1 O8 142.7(10) . 12_755
O28 Na1 O8 72.7(5) 12_755 12_755
O28 Na1 O13 144.2(11) . 12_755
O28 Na1 O13 56.4(5) 12_755 12_755
O28 Na1 O13 56.4(5) . .
O28 Na1 O13 144.2(11) 12_755 .
O28 Na1 O23 106.7(9) . 12_755
O28 Na1 O23 56.3(5) 12_755 12_755
O28 Na1 O28 141.5(12) . 12_755
O35 Na1 O8 143.1(5) . .
O35 Na1 O8 143.1(5) . 12_755
O35 Na1 O13 106.2(8) . 12_755
O35 Na1 O13 106.2(8) . .
O35 Na1 O23 56.7(7) . 12_755
O35 Na1 O28 71.1(6) . .
O35 Na1 O28 71.1(6) . 12_755
O6AA Na1 O8 91.0(12) . .
O6AA Na1 O8 109.3(14) 12_755 .
O6AA Na1 O8 109.3(14) . 12_755
O6AA Na1 O8 91.0(12) 12_755 12_755
O6AA Na1 O13 37.1(10) 12_755 12_755
O6AA Na1 O13 66.0(11) 12_755 .
O6AA Na1 O13 66.0(11) . 12_755
O6AA Na1 O13 37.1(10) . .
O6AA Na1 O23 54.9(11) . 12_755
O6AA Na1 O23 35.3(10) 12_755 12_755
O6AA Na1 O28 107.8(13) . 12_755
O6AA Na1 O28 78.2(10) 12_755 12_755
O6AA Na1 O28 78.2(10) . .
O6AA Na1 O28 107.8(13) 12_755 .
O6AA Na1 O35 88.4(14) . .
O6AA Na1 O35 88.4(14) 12_755 .
O6AA Na1 O6AA 31.4(17) 12_755 .
O6AA Na1 K0A 162.8(12) . 2_765
O6AA Na1 K0A 162.8(12) 12_755 2_765
K0A Na1 O8 87(4) . .
K0A Na1 O8 85.4(14) 2_765 .
K0A Na1 O8 85.4(14) 2_765 12_755
K0A Na1 O8 87(4) . 12_755
K0A Na1 O13 131.1(7) 2_765 .
K0A Na1 O13 131.7(13) . .
K0A Na1 O13 131.7(13) . 12_755
K0A Na1 O13 131.1(7) 2_765 12_755
K0A Na1 O23 129(4) . 12_755
K0A Na1 O23 130.6(14) 2_765 12_755
K0A Na1 O28 84.0(16) . .
K0A Na1 O28 84.7(8) 2_765 .
K0A Na1 O28 84.7(8) 2_765 12_755
K0A Na1 O28 84.0(16) . 12_755
K0A Na1 O35 84.4(16) 2_765 .
K0A Na1 O35 82(5) . .
K0A Na1 O6AA 162(3) . 12_755
K0A Na1 O6AA 162(3) . .
K0A Na1 K0A 2(3) . 2_765
O69 Na2 O69 167.5(17) 7_645 .
O69 Na2 O73 72.2(10) . .
O69 Na2 O73 106.3(10) . 7_645
O69 Na2 O73 106.3(10) 7_645 .
O69 Na2 O73 72.2(10) 7_645 7_645
O69 Na2 O76 35.1(10) . 7_645
O69 Na2 O76 143.0(11) . .
O69 Na2 O76 35.1(10) 7_645 .
O69 Na2 O76 143.0(11) 7_645 7_645
O69 Na2 O82 71.8(10) . 7_645
O69 Na2 O82 106.7(10) 7_645 7_645
O69 Na2 O83 141.2(10) . 7_645
O69 Na2 O83 37.1(10) 7_645 7_645
O73 Na2 O73 167.0(17) 7_645 .
O73 Na2 O76 71.6(10) . .
O73 Na2 O76 107.1(10) 7_645 .
O73 Na2 O76 71.6(10) 7_645 7_645
O73 Na2 O76 107.1(10) . 7_645
O76 Na2 O76 169.6(17) 7_645 .
O83 Na2 O82 108.8(10) 7_645 .
O83 Na2 O82 70.1(10) . .
O83 Na2 O83 170.6(17) 7_645 .
K88 Na2 O69 83.7(8) . 7_645
K88 Na2 O69 83.7(8) . .
K88 Na2 O69 83.7(8) 13_665 7_645
K88 Na2 O69 83.7(8) 13_665 .
K88 Na2 O73 83.5(9) 13_665 .
K88 Na2 O73 83.5(9) . .
K88 Na2 O73 83.5(9) . 7_645
K88 Na2 O73 83.5(9) 13_665 7_645
K88 Na2 O76 84.8(8) . .
K88 Na2 O76 84.8(8) . 7_645
K88 Na2 O76 84.8(8) 13_665 7_645
K88 Na2 O76 84.8(8) 13_665 .
K88 Na2 O82 83.5(8) 13_665 7_645
K88 Na2 O82 83.5(8) . .
K88 Na2 O82 83.5(8) 13_665 .
K88 Na2 O82 83.5(8) . 7_645
K88 Na2 O83 85.3(8) 13_665 7_645
K88 Na2 O83 85.3(9) . 7_645
K88 Na2 O83 85.3(8) . .
K88 Na2 O83 85.3(8) 13_665 .
K88 Na2 K88 0.000(4) . 13_665
W1 O1 W1 119.1(13) . 11_575
W1 O1 K0AA 102.7(10) . .
W1 O1 K0AA 102.7(10) 11_575 .
Mo1 O1 K0AA 102.7(10) . .
W7 O1BA W7 93.5(8) 12_755 2_765
P3 O1BA W7 126.2(7) . 12_755
P3 O1BA W7 126.2(7) . 2_765
W1 O2 W1 162.0(15) . 12_755
W1 O2 K3A 93.6(8) 12_755 .
W1 O2 K3A 93.6(8) . .
O43 O2BA Fe4 54(10) . .
O43 O2BA Fe4B 85(10) . .
W1 O3 K3A 114.7(10) . .
Mo1 O3 K3 103.5(8) . .
W1 O5 W3 146.7(9) . .
W1 O5 K0AA 107.4(10) . .
W3 O5 K0AA 103.6(10) . .
Mo1 O5 Mo3 146.7(9) . .
Mo1 O5 K0AA 107.4(10) . .
Mo3 O5 K0AA 103.6(10) . .
W1 O6 W2 149.2(10) . .
Mo1 O6 W2 149.2(10) . .
Mo1 O6 K3 99.9(6) . .
W2 O6 K3 95.2(6) . .
W2 O8 Na1 98.9(8) . .
W2 O8 K0A 114.7(13) . .
W2 O8 K0A 141.5(10) . 2_765
P1 O8 W2 130.9(9) . .
P1 O8 Na1 130.2(10) . .
P1 O8 K0A 87.6(10) . 2_765
P1 O8 K0A 114.3(14) . .
Na1 O8 K0A 42.6(12) . 2_765
Na1 O8 K0A 15.9(10) . .
K0A O8 K0A 26.7(19) . 2_765
W2 O9 W2 159.8(14) 12_755 .
W3 O10 W3 93.8(8) . 11_575
P1 O10 W3 126.6(7) . 11_575
P1 O10 W3 126.6(7) . .
P1 O10 Mo3 126.6(7) . .
W3 O8AA W2 152.2(10) . .
Mo3 O8AA W2 152.2(10) . .
W2 O12 K3 109.5(8) . .
W2 O12 K3A 121.5(8) . 9_765
W4 O13 W2 161.0(9) . .
W4 O13 Na1 95.5(7) . .
W2 O13 Na1 95.1(7) . .
W3 O14 W3 119.4(12) 11_575 .
W3 O14 K0AA 104.5(10) . .
W3 O14 K0AA 104.5(10) 11_575 .
Mo3 O14 K0AA 104.5(10) . .
W3 O15 Fe3 157.6(13) . .
Mo3 O15 Fe3 157.6(13) . .
W5 O16 W3 160.0(9) . .
Mo5 O16 Mo3 160.0(9) . .
W5 O17 W5 119.1(11) . 11_575
W5 O18 W5 93.7(7) 11_575 .
P2 O18 W5 126.8(7) . .
P2 O18 W5 126.8(7) . 11_575
P2 O18 Mo5 126.8(7) . .
W5 O19 Fe4 149.4(18) . 6_654
W5 O19 Fe4B 171.2(14) . 6_654
W5 O20 W6 148.6(9) . .
Mo5 O20 Mo6 148.6(9) . .
Mo5 O21 W4 149.3(10) . .
W4 O23 W8 158.7(9) . .
W4 O23 Na1 95.7(6) . .
W8 O23 Na1 95.9(6) . .
O6AA O23 W4 90.8(11) . .
O6AA O23 W8 109.2(12) . .
O6AA O23 Na1 37.5(11) . .
Mo6 O24 W4 151.3(10) . .
W6 O26 W6 119.7(11) 11_575 .
W6 O27 W6 93.8(7) . 11_575
P2 O27 W6 127.3(7) . .
P2 O27 W6 127.3(7) . 11_575
P2 O27 Mo6 127.3(7) . .
W4 O28 Na1 99.1(8) . .
W4 O28 K0A 115.1(13) . .
W4 O28 K0A 142.0(9) . 2_765
P2 O28 W4 131.9(8) . .
P2 O28 Na1 129.0(10) . .
P2 O28 K0A 113.0(14) . .
P2 O28 K0A 86.1(10) . 2_765
Na1 O28 K0A 42.9(12) . 2_765
Na1 O28 K0A 16.1(10) . .
K0A O28 K0A 26.9(19) . 2_765
W7 O29 W8 152.3(9) . .
Mo7 O29 W8 152.3(9) . .
W7 O30 W6 161.6(9) . .
Mo7 O30 Mo6 161.6(9) . .
W7 O32 W7 118.7(12) 11_575 .
W7 O33 W7 148.3(13) . 12_755
W8 O35 Na1 101.5(10) . .
W8 O35 K0A 145.1(13) . 2_765
W8 O35 K0A 117.9(15) . .
P3 O35 W8 129.4(12) . .
P3 O35 Na1 129.0(13) . .
P3 O35 K0A 112.6(16) . .
P3 O35 K0A 85.5(13) . 2_765
Na1 O35 K0A 16.4(11) . .
Na1 O35 K0A 43.5(13) . 2_765
K0A O35 K0A 27.1(19) . 2_765
W9 O38 Fe1 148.4(14) . .
Fe2 O39 O0AA 14(6) . .
O2BA O43 Fe4 105(10) . .
O2BA O43 Fe4B 62(10) . .
W9 O45 W14 146.0(11) . 7_645
W9 O45 W16 142.7(11) . .
W14 O45 W16 58.2(5) 7_645 .
W9 O46 K0AA 110.7(9) . 13_665
W13 O46 W9 154.0(10) 7_645 .
W13 O46 K0AA 94.7(10) 7_645 13_665
W9 O47 W9 119.9(12) 11_575 .
W9 O48 W10 154.8(11) . .
Mo9 O48 Mo10 154.8(11) . .
W9 O49 W9 94.6(8) . 11_575
P4 O49 W9 121.4(10) . 11_575
P4 O49 W9 121.4(10) . .
P4 O49 P6 79.9(13) . 13_665
P6 O49 W9 121.2(10) 13_665 .
P6 O49 W9 121.2(10) 13_665 11_575
W10 O50 W10 94.1(9) . 11_575
P4 O50 W10 120.1(10) . .
P4 O50 W10 120.1(10) . 11_575
P4B O50 Mo10 121.8(10) . .
W10 O51 W16 144.6(11) . .
Mo10 O51 W15B 144.2(11) . .
W10 O53 W10 119.5(13) 11_575 .
W10 O54 W11 153.2(11) . .
Mo10 O54 Mo11 153.2(11) . .
W11 O55 W15 143.6(11) . .
Mo11 O55 W15B 145.6(11) . .
W11 O56 W11 93.1(9) . 11_575
P4B O56 Mo11 120.6(9) . .
P5 O56 W11 122.1(9) . .
P5 O56 W11 122.1(9) . 11_575
W11 O57 W11 118.5(13) 11_575 .
W11 O59 W12 156.4(12) . .
Mo11 O59 Mo12 156.4(12) . .
W12 O60 Fe5 169.5(16) . 4_565
W12 O60 Fe5B 149.9(15) . 4_565
Fe5 O60 Fe5B 32.9(10) 4_565 4_565
W12 O61 W12 118.4(14) . 11_575
W12 O62 W12 93.8(9) 11_575 .
P5 O62 W12 121.4(9) . .
P5 O62 W12 121.4(9) . 11_575
P5B O62 Mo12 120.5(10) . .
W12 O63 W15 144.1(11) . .
Mo12 O63 W14B 143.2(11) . .
W12 O64 W13 152.8(11) . .
Mo12 O64 Mo13 152.8(11) . .
W13 O65 Fe3 170.8(15) . .
Mo13 O65 Fe3 170.8(15) . .
W13 O66 W13 119.2(12) . 11_575
W13 O66 K0AA 107.3(9) . .
W13 O66 K0AA 107.3(9) 11_575 .
Mo13 O66 K0AA 107.3(9) . .
W13 O67 W13 93.8(8) 11_575 .
P5B O67 Mo13 119.6(10) . .
P6 O67 W13 122.5(9) . .
P6 O67 W13 122.5(9) . 11_575
W13 O68 W14 146.5(12) . .
Mo13 O68 W14B 142.8(11) . .
W14 O69 Na2 97.6(12) . .
W14 O69 K88 142.3(13) . 13_665
W14 O69 K88 114.3(15) . .
P6 O69 W14 132.5(18) . .
P6 O69 Na2 129.7(17) . .
P6 O69 O76 102(2) . 7_645
P6 O69 K88 85.1(14) . 13_665
P6 O69 K88 113.1(18) . .
Na2 O69 K88 44.7(11) . 13_665
Na2 O69 K88 16.7(9) . .
O76 O69 W14 93.1(18) 7_645 .
O76 O69 Na2 73.1(15) 7_645 .
O76 O69 K88 78.0(16) 7_645 13_665
O76 O69 K88 73.8(15) 7_645 .
K88 O69 K88 28.0(16) . 13_665
W14 O70 Fe4B 149(2) . 7_645
W14 O71 W15 159(2) . .
W14 O71 Na2 97.6(13) . .
W15 O71 Na2 95.8(12) . .
W15 O73 Na2 97.9(12) . .
W15 O73 K88 142.4(14) . 13_665
W15 O73 K88 114.4(16) . .
P5 O73 W15 131.9(19) . .
P5 O73 Na2 130.2(19) . .
P5 O73 K88 113.7(19) . .
P5 O73 K88 85.6(15) . 13_665
Na2 O73 K88 16.6(9) . .
Na2 O73 K88 44.6(11) . 13_665
K88 O73 K88 28.0(16) . 13_665
W15B O74 Na2 136(2) . .
W15B O74 O85 116(3) . .
W15B O74 O87 100(3) . .
O85 O74 Na2 76(2) . .
O85 O74 O87 143(3) . .
O87 O74 Na2 76.6(18) . .
W15 O75 K6 109.5(18) . .
W16 O76 Na2 99.3(12) . .
W16 O76 K88 143.3(14) . 13_665
W16 O76 K88 115.8(15) . .
P4 O76 W16 133.5(18) . .
P4 O76 Na2 127.2(18) . .
P4 O76 O69 98(2) . 7_645
P4 O76 K88 110.8(18) . .
P4 O76 K88 83.2(14) . 13_665
Na2 O76 K88 44.0(11) . 13_665
Na2 O76 K88 16.5(9) . .
O69 O76 W16 96.6(19) 7_645 .
O69 O76 Na2 71.8(15) 7_645 .
O69 O76 K88 74.7(15) 7_645 13_665
O69 O76 K88 71.6(15) 7_645 .
K88 O76 K88 27.5(15) . 13_665
Fe5 O77 K78 126(3) . .
Fe5B O77 K78 119(2) . .
W15B O82 Na2 98.0(12) . .
W15B O82 K88 114.6(15) . .
P4B O82 W15B 131.0(18) . .
P4B O82 Na2 131.0(17) . .
P4B O82 K88 114.4(18) . .
Na2 O82 K88 44.7(11) . 13_665
Na2 O82 K88 16.6(9) . .
K88 O82 K88 28.1(16) . 13_665
W14B O83 Na2 100.3(13) . .
W14B O83 K88 116.9(16) . .
P5B O83 W14B 132.1(18) . .
P5B O83 Na2 127.5(17) . .
P5B O83 K88 111.0(18) . .
Na2 O83 K88 44.0(11) . 13_665
Na2 O83 K88 16.6(9) . .
K88 O83 K88 27.4(15) . 13_665
W15B O84 K2B 113(2) . .
W15B O85 Na2 96.2(12) . .
O74 O85 W15B 25.3(16) . .
O74 O85 Na2 78(2) . .
O86 O85 W15B 171(3) 7_645 .
O86 O85 Na2 78.1(19) 7_645 .
W14B O86 Na2 95.9(12) . .
O85 O86 W14B 170(3) 7_645 .
O85 O86 Na2 74.4(19) 7_645 .
W14B O87 W15B 162(2) . .
W14B O87 Na2 95.5(13) . .
W15B O87 Na2 93.8(12) . .
O74 O87 W14B 168(3) . .
O74 O87 W15B 28.0(14) . .
O74 O87 Na2 73.3(17) . .
O77 K78 Na2 114.1(12) 7_645 .
O77 K78 Na2 114.1(12) . .
O77 K78 O77 132(2) 7_645 .
K3A O1AA K3A 180.0 9_765 .
Na2 K88 Na2 180.0 . 13_665
Na2 K88 O69 100.4(11) 13_665 7_645
Na2 K88 O69 79.6(11) . 7_645
Na2 K88 O69 100.4(11) 13_665 .
Na2 K88 O69 79.6(11) . .
Na2 K88 O73 79.9(12) . 7_645
Na2 K88 O73 100.1(12) 13_665 .
Na2 K88 O73 100.1(12) 13_665 7_645
Na2 K88 O73 79.9(12) . .
Na2 K88 O76 78.7(11) . 7_645
Na2 K88 O76 101.3(11) 13_665 7_645
Na2 K88 O82 100.1(11) 13_665 7_645
Na2 K88 O82 79.9(11) . .
Na2 K88 O82 100.1(11) 13_665 .
Na2 K88 O82 79.9(11) . 7_645
Na2 K88 O83 78.1(11) . 7_645
Na2 K88 O83 101.9(11) 13_665 .
Na2 K88 O83 78.1(11) . .
Na2 K88 O83 101.9(11) 13_665 7_645
Na2 K88 K88 180.000(16) . 13_665
O69 K88 O69 159(2) . 7_645
O69 K88 O73 71.4(10) 7_645 7_645
O69 K88 O73 104.9(11) . 7_645
O69 K88 O73 104.9(11) 7_645 .
O69 K88 O73 71.4(10) . .
O69 K88 O76 34.6(10) . 7_645
O69 K88 O76 138.8(14) 7_645 7_645
O69 K88 O82 105.3(11) 7_645 7_645
O69 K88 O82 71.0(10) . 7_645
O69 K88 O83 36.6(10) 7_645 7_645
O69 K88 O83 136.8(13) . 7_645
O73 K88 O73 160(2) 7_645 .
O73 K88 O76 105.3(11) . 7_645
O73 K88 O76 70.6(10) 7_645 7_645
O73 K88 O83 138.5(13) . 7_645
O73 K88 O83 34.8(9) 7_645 7_645
O82 K88 O83 69.0(10) . .
O82 K88 O83 106.6(11) 7_645 .
O83 K88 O83 156(2) 7_645 .
K88 K88 Na2 0.000(6) 13_665 13_665
K88 K88 O69 100.4(11) 13_665 7_645
K88 K88 O69 100.4(11) 13_665 .
K88 K88 O73 100.1(12) 13_665 .
K88 K88 O73 100.1(12) 13_665 7_645
K88 K88 O76 101.3(11) 13_665 7_645
K88 K88 O82 100.1(11) 13_665 7_645
K88 K88 O82 100.1(11) 13_665 .
K88 K88 O83 101.9(11) 13_665 7_645
K88 K88 O83 101.9(11) 13_665 .
Fe3 O4AA Fe3 77(3) . 4_565
Fe2 O0AA Fe4 150(10) . .
Fe2 O0AA O39 22(10) . .
O39 O0AA Fe4 133(8) . .
Na1 O6AA K0A 5.1(8) . .
O23 O6AA Na1 107.1(17) . .
O23 O6AA K0A 103.0(16) . .
O6AA O6AA Na1 74.3(9) 12_755 .
O6AA O6AA O23 116.9(10) 12_755 .
O6AA O6AA K0A 78.7(6) 12_755 .
W1 K3A W1 59.63(19) . 12_755
W1 K3A W2 143.8(4) . 9_765
W1 K3A W2 143.8(4) 12_755 4_565
W1 K3A W2 110.3(2) 12_755 9_765
W1 K3A W2 110.3(2) . 4_565
W2 K3A W2 55.19(18) 4_565 9_765
O2 K3A W1 30.16(12) . .
O2 K3A W1 30.16(12) . 12_755
O2 K3A W2 135.3(5) . 4_565
O2 K3A W2 135.3(5) . 9_765
O3 K3A W1 24.0(4) 12_755 12_755
O3 K3A W1 24.0(4) . .
O3 K3A W1 83.7(5) . 12_755
O3 K3A W1 83.7(5) 12_755 .
O3 K3A W2 91.3(4) 12_755 9_765
O3 K3A W2 140.5(6) . 9_765
O3 K3A W2 91.3(4) . 4_565
O3 K3A W2 140.5(6) 12_755 4_565
O3 K3A O2 53.9(4) . .
O3 K3A O2 53.9(4) 12_755 .
O3 K3A O3 107.7(9) 12_755 .
O3 K3A O12 70.7(5) 12_755 9_765
O3 K3A O12 152.0(8) 12_755 4_565
O3 K3A O12 70.7(5) . 4_565
O3 K3A O12 152.0(8) . 9_765
O3 K3A O1AA 80.0(5) . .
O3 K3A O1AA 80.0(5) 12_755 .
O3 K3A O9AA 121.9(7) 12_755 .
O3 K3A O9AA 121.9(7) . .
O12 K3A W1 91.5(4) 9_765 12_755
O12 K3A W1 91.5(4) 4_565 .
O12 K3A W1 140.7(6) 9_765 .
O12 K3A W1 140.7(6) 4_565 12_755
O12 K3A W2 21.4(3) 4_565 4_565
O12 K3A W2 21.4(3) 9_765 9_765
O12 K3A W2 76.5(4) 9_765 4_565
O12 K3A W2 76.5(4) 4_565 9_765
O12 K3A O2 119.9(5) 4_565 .
O12 K3A O2 119.9(5) 9_765 .
O12 K3A O12 97.5(8) 4_565 9_765
O12 K3A O1AA 72.1(5) 4_565 .
O12 K3A O1AA 72.1(5) 9_765 .
O12 K3A O9AA 77.8(10) 9_765 .
O12 K3A O9AA 77.8(10) 4_565 .
O1AA K3A W1 74.5(3) . 12_755
O1AA K3A W1 74.5(3) . .
O1AA K3A W2 69.3(3) . 4_565
O1AA K3A W2 69.3(3) . 9_765
O1AA K3A O2 76.9(6) . .
O9AA K3A W1 141.5(9) . .
O9AA K3A W1 141.5(9) . 12_755
O9AA K3A W2 69.8(13) . 9_765
O9AA K3A W2 69.8(13) . 4_565
O9AA K3A O2 149.6(16) . .
O9AA K3A O1AA 133.6(15) . .
Na1 K0A O8 77(4) . .
Na1 K0A O8 99.6(18) 2_765 .
Na1 K0A O28 79.9(18) . .
Na1 K0A O28 101.3(13) 2_765 .
Na1 K0A O35 103(2) 2_765 .
Na1 K0A O35 81(5) . .
Na1 K0A O6AA 168.4(9) 2_765 .
Na1 K0A O6AA 13.1(19) . .
Na1 K0A K0A 177(5) . 2_765
O8 K0A O8 68.8(13) . 12_755
O8 K0A O28 136.9(18) . 2_765
O8 K0A O28 83.2(7) 12_755 2_765
O8 K0A O35 137.7(13) 12_755 2_765
O8 K0A O35 137.7(13) . 2_765
O28 K0A O8 71.3(7) 12_755 12_755
O28 K0A O8 71.3(7) . .
O28 K0A O8 137.3(18) 12_755 .
O28 K0A O8 137.3(18) . 12_755
O28 K0A O28 138.4(19) . 2_765
O28 K0A O28 49.0(7) 12_755 2_765
O28 K0A O28 138(2) . 12_755
O28 K0A O35 83.5(11) 12_755 2_765
O28 K0A O35 83.5(11) . 2_765
O35 K0A O8 138.7(13) . .
O35 K0A O8 138.7(13) . 12_755
O35 K0A O28 55.0(8) 2_765 2_765
O35 K0A O28 70.6(11) . .
O35 K0A O28 83.7(12) . 2_765
O35 K0A O28 70.6(11) . 12_755
O35 K0A O35 50.7(12) . 2_765
O35 K0A O6AA 75.0(16) . .
O35 K0A O6AA 75.0(16) . 12_755
O6AA K0A O8 89.0(17) 12_755 .
O6AA K0A O8 76.1(14) . .
O6AA K0A O8 89.0(17) . 12_755
O6AA K0A O8 76.1(14) 12_755 12_755
O6AA K0A O28 137.3(14) . 2_765
O6AA K0A O28 116.1(9) 12_755 2_765
O6AA K0A O28 67.1(12) 12_755 12_755
O6AA K0A O28 67.1(12) . .
O6AA K0A O28 88.7(15) 12_755 .
O6AA K0A O28 88.7(15) . 12_755
O6AA K0A O35 124.6(19) . 2_765
O6AA K0A O35 124.6(19) 12_755 2_765
O6AA K0A O6AA 22.7(13) 12_755 .
K0A K0A Na1 1.0(15) 2_765 2_765
K0A K0A O8 100.4(12) 2_765 .
K0A K0A O8 100.4(12) 2_765 12_755
K0A K0A O28 101.0(12) 2_765 .
K0A K0A O28 101.0(12) 2_765 12_755
K0A K0A O28 52.1(8) 2_765 2_765
K0A K0A O35 51.1(10) 2_765 2_765
K0A K0A O35 101.8(13) 2_765 .
K0A K0A O6AA 168.1(7) 2_765 .
K0A K0A O6AA 168.1(7) 2_765 12_755
W15 K6 W15 159(3) 4_565 .
Fe5 K6 W15 101.8(15) 4_565 .
Fe5 K6 W15 101.8(15) . 4_565
Fe5 K6 W15 62.0(8) 4_565 4_565
Fe5 K6 W15 62.0(8) . .
Fe5 K6 Fe5 87(2) 4_565 .
O75 K6 W15 23.8(7) . .
O75 K6 W15 146(2) 4_565 .
O75 K6 W15 146(2) . 4_565
O75 K6 W15 23.8(7) 4_565 4_565
O75 K6 Fe5 44.9(11) 4_565 4_565
O75 K6 Fe5 44.9(11) . .
O75 K6 Fe5 112(2) 4_565 .
O75 K6 Fe5 112(2) . 4_565
O75 K6 O75 154(4) 4_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 K0AA 4.11(3) .
W1 O1 1.925(13) .
W1 O2 1.927(4) .
W1 O3 1.717(18) .
W1 O5 1.958(19) .
W1 O6 1.883(17) .
W1 K3A 3.829(11) .
W3 K0AA 4.02(3) .
W3 O5 1.97(2) .
W3 O10 2.267(14) .
W3 O8AA 1.870(16) .
W3 O14 1.918(12) .
W3 O15 1.715(17) .
W3 O16 1.96(2) .
W5 O16 1.90(2) .
W5 O17 1.923(11) .
W5 O18 2.271(14) .
W5 O19 1.701(16) .
W5 O20 1.95(2) .
W6 O20 1.97(2) .
W6 O25 1.728(17) .
W6 O26 1.914(11) .
W6 O27 2.268(14) .
W6 O30 1.93(2) .
W7 O1BA 2.275(15) 2_765
W7 O29 1.871(16) .
W7 O30 1.92(2) .
W7 O31 1.746(18) .
W7 O32 1.927(12) .
W7 O33 1.963(6) .
Mo1 K0AA 4.11(3) .
Mo1 K3 3.830(6) .
Mo1 O1 1.925(13) .
Mo1 O2 1.927(4) .
Mo1 O3 1.717(18) .
Mo1 O5 1.958(19) .
Mo1 O6 1.883(17) .
Mo3 K0AA 4.02(3) .
Mo3 O5 1.97(2) .
Mo3 O10 2.267(14) .
Mo3 O8AA 1.870(16) .
Mo3 O14 1.918(12) .
Mo3 O15 1.715(17) .
Mo3 O16 1.96(2) .
Mo5 O16 1.90(2) .
Mo5 O17 1.923(11) .
Mo5 O18 2.271(14) .
Mo5 O19 1.701(16) .
Mo5 O20 1.95(2) .
Mo5 O21 1.861(15) .
Mo6 O20 1.97(2) .
Mo6 O24 1.858(16) .
Mo6 O25 1.728(17) .
Mo6 O26 1.914(11) .
Mo6 O27 2.268(14) .
Mo6 O30 1.93(2) .
Mo7 O1BA 2.275(15) 2_765
Mo7 O29 1.871(16) .
Mo7 O30 1.92(2) .
Mo7 O31 1.746(18) .
Mo7 O32 1.927(12) .
Mo7 O33 1.963(6) .
W4 Na1 3.678(16) .
W4 O13 1.876(16) .
W4 O21 1.967(15) .
W4 O22 1.731(15) .
W4 O23 1.863(15) .
W4 O24 1.940(16) .
W4 O28 2.166(14) .
W4 K0A 4.10(4) .
W2 K3 3.745(6) .
W2 Na1 3.69(2) .
W2 O6 1.943(17) .
W2 O8 2.192(14) .
W2 O9 1.902(4) .
W2 O8AA 1.925(15) .
W2 O12 1.732(15) .
W2 O13 1.917(16) .
W2 K3A 4.042(12) 9_765
W8 Na1 3.73(3) .
W8 O23 1.939(15) 12_755
W8 O23 1.939(15) .
W8 O29 1.910(16) 12_755
W8 O29 1.910(16) .
W8 O34 1.73(2) .
W8 O35 2.19(2) .
W8 K0A 4.13(5) .
W9 O38 1.695(17) .
W9 O45 1.856(17) .
W9 O46 1.95(2) .
W9 O47 1.909(12) .
W9 O48 1.89(2) .
W9 O49 2.248(15) .
W10 O48 2.00(2) .
W10 O50 2.258(16) .
W10 O51 1.883(18) .
W10 O52 1.721(18) .
W10 O53 1.914(12) .
W10 O54 1.92(2) .
W11 O54 1.97(2) .
W11 O55 1.870(18) .
W11 O56 2.280(16) .
W11 O57 1.926(13) .
W11 O58 1.713(19) .
W11 O59 1.87(2) .
W12 O59 2.00(2) .
W12 O60 1.670(19) .
W12 O61 1.925(14) .
W12 O62 2.266(17) .
W12 O63 1.882(18) .
W12 O64 1.94(2) .
W13 K0AA 3.96(3) .
W13 O46 1.93(2) 7_645
W13 O64 1.95(2) .
W13 O65 1.720(18) .
W13 O66 1.925(12) .
W13 O67 2.275(16) .
W13 O68 1.878(17) .
Mo9 O38 1.695(17) .
Mo9 O45 1.856(17) .
Mo9 O46 1.95(2) .
Mo9 O47 1.909(12) .
Mo9 O48 1.89(2) .
Mo9 O49 2.248(15) .
Mo10 O48 2.00(2) .
Mo10 O50 2.258(16) .
Mo10 O51 1.883(18) .
Mo10 O52 1.721(18) .
Mo10 O53 1.914(12) .
Mo10 O54 1.92(2) .
Mo11 O54 1.97(2) .
Mo11 O55 1.870(18) .
Mo11 O56 2.280(16) .
Mo11 O57 1.926(13) .
Mo11 O58 1.713(19) .
Mo11 O59 1.87(2) .
Mo12 O59 2.00(2) .
Mo12 O60 1.670(19) .
Mo12 O61 1.925(14) .
Mo12 O62 2.266(17) .
Mo12 O63 1.882(18) .
Mo12 O64 1.94(2) .
Mo13 K0AA 3.96(3) .
Mo13 O46 1.93(2) 7_645
Mo13 O64 1.95(2) .
Mo13 O65 1.720(18) .
Mo13 O66 1.925(12) .
Mo13 O67 2.275(16) .
Mo13 O68 1.878(17) .
W14 W16 1.963(3) 7_645
W14 Na2 3.631(12) .
W14 O45 2.010(18) 7_645
W14 O68 1.983(18) .
W14 O69 2.16(3) .
W14 O70 1.69(3) .
W14 O71 1.83(3) .
W14 K88 4.07(3) .
W14B Na2 3.669(12) .
W14B O63 2.004(19) .
W14B O68 1.998(17) .
W14B O72 1.73(4) .
W14B O83 2.11(3) .
W14B O86 1.88(4) .
W14B O87 1.85(3) .
W14B K88 4.11(3) .
W15 Na2 3.665(12) .
W15 O55 2.006(18) .
W15 O63 1.996(18) .
W15 O71 1.96(3) .
W15 O73 2.18(3) .
W15 O75 1.73(4) .
W15 K88 4.10(3) .
W15 K6 4.054(17) .
W15B K2B 4.00(4) .
W15B Na2 3.671(12) .
W15B O51 1.992(17) .
W15B O55 1.985(18) .
W15B O74 0.92(4) .
W15B O82 2.19(3) .
W15B O84 1.71(3) .
W15B O85 1.93(3) .
W15B O87 1.93(3) .
W15B K88 4.11(3) .
W16 Na2 3.665(12) .
W16 O44 1.70(3) .
W16 O45 2.025(18) .
W16 O51 1.985(19) .
W16 O76 2.12(3) .
W16 K88 4.10(3) .
Fe1 O22 2.095(17) 6_655
Fe1 O37 2.34(4) .
Fe1 O38 2.11(2) .
Fe1 O39 2.19(7) .
Fe1 O40 2.23(9) .
Fe1 O7AA 2.04(4) .
Fe2 Fe4 2.82(7) .
Fe2 K2B 3.68(7) .
Fe2 O39 1.05(8) .
Fe2 O0AA 0.66(15) .
Fe3 Fe3 2.51(4) 4_565
Fe3 O15 2.08(3) .
Fe3 O65 2.16(3) .
Fe3 O4AA 1.69(8) .
Fe3 O4AA 2.27(8) 4_565
Fe4 O2BA 2.14(12) .
Fe4 O19 1.96(4) 6_655
Fe4 O43 1.80(15) .
Fe4 O44 2.06(6) .
Fe4 O0AA 2.22(16) .
Fe4B O2BA 1.28(11) .
Fe4B O19 2.07(3) 6_655
Fe4B O43 1.45(15) .
Fe4B O70 2.02(4) 7_645
Fe5 O60 2.03(3) 4_565
Fe5 O72 1.97(5) .
Fe5 O77 1.80(6) .
Fe5 K6 3.59(7) .
Fe5B O60 2.08(3) 4_565
Fe5B O75 2.01(4) .
Fe5B O77 1.87(6) .
K0AA O1 3.23(4) .
K0AA O5 3.08(3) .
K0AA O5 3.08(3) 11_575
K0AA O14 3.09(4) .
K0AA O46 3.31(3) 13_665
K0AA O46 3.31(3) 7_645
K0AA O66 2.94(4) .
K0AA O79 2.83(6) 11_575
K0AA O79 2.83(6) .
K0AA O80 2.86(3) 11_575
K0AA O80 2.86(3) .
K1AA O41 3.25(6) .
K1AA O41 3.25(6) 4_565
K1AA O42 2.01(7) .
K1AA O42 2.01(7) 4_565
K1AA O81 2.04(11) 4_565
K1AA O81 2.04(11) .
K2B K2B 4.17(8) 4_565
K2B O0CA 1.33(12) .
K2B O84 3.02(5) .
K3 O3 3.05(2) 4_565
K3 O3 3.05(2) .
K3 O6 3.03(2) .
K3 O6 3.03(2) 4_565
K3 O12 2.791(18) 4_565
K3 O12 2.791(18) .
K3 O1AA 2.60(3) .
K3 O4 1.77(8) .
P1 O8 1.533(15) .
P1 O8 1.533(15) 11_575
P1 O10 1.55(2) .
P1 K0A 3.63(4) 2_765
P1 K0A 3.63(4) .
P2 O18 1.52(2) .
P2 O27 1.54(2) .
P2 O28 1.545(14) 11_575
P2 O28 1.546(14) .
P2 K0A 3.58(2) .
P2 K0A 3.58(2) 2_765
P3 O1BA 1.55(2) 2_765
P3 O1BA 1.55(2) .
P3 O35 1.58(2) .
P3 O35 1.58(2) 2_765
P3 K0A 3.54(5) .
P3 K0A 3.54(5) 2_765
P4 P6 2.14(3) 13_665
P4 O49 1.65(3) .
P4 O50 1.72(3) .
P4 O76 1.57(3) .
P4 O76 1.57(3) 11_575
P4 K88 3.576(18) 13_665
P4 K88 3.576(18) .
P4B O50 1.64(3) .
P4B O56 1.65(3) .
P4B O82 1.54(3) 11_575
P4B O82 1.54(3) .
P4B K88 3.601(19) 13_665
P4B K88 3.601(19) .
P5 O56 1.61(3) .
P5 O62 1.67(3) .
P5 O73 1.53(3) .
P5 O73 1.53(3) 11_575
P5 K88 3.58(2) 13_665
P5 K88 3.58(2) .
P5B O62 1.64(3) .
P5B O67 1.67(3) .
P5B O83 1.61(3) .
P5B O83 1.61(3) 11_575
P5B K88 3.602(19) 13_665
P5B K88 3.602(19) .
P6 O49 1.68(3) 13_665
P6 O67 1.62(3) .
P6 O69 1.54(3) .
P6 O69 1.54(3) 11_575
P6 K88 3.570(19) .
P6 K88 3.570(18) 13_665
Na1 O8 2.65(2) 12_755
Na1 O8 2.65(2) .
Na1 O13 2.99(2) .
Na1 O13 2.99(2) 12_755
Na1 O23 2.99(3) 12_755
Na1 O28 2.650(16) .
Na1 O28 2.650(16) 12_755
Na1 O35 2.61(3) .
Na1 O6AA 1.91(4) 12_755
Na1 O6AA 1.91(4) .
Na1 K0A 0.74(5) .
Na1 K0A 2.28(7) 2_765
Na2 O69 2.64(3) .
Na2 O69 2.64(3) 7_645
Na2 O73 2.66(3) .
Na2 O73 2.66(3) 7_645
Na2 O76 2.66(3) 7_645
Na2 O76 2.66(3) .
Na2 O82 2.66(3) .
Na2 O82 2.66(3) 7_645
Na2 O83 2.65(3) 7_645
Na2 O83 2.65(3) .
Na2 K88 0.77(4) .
Na2 K88 2.37(6) 13_665
O2 K3A 3.19(3) .
O2BA O43 0.80(15) .
O3 K3A 2.78(2) .
O8 K0A 3.35(5) 2_765
O8 K0A 2.72(4) .
O12 K3A 2.857(19) 9_765
O23 O6AA 1.81(3) .
O28 K0A 2.68(2) .
O28 K0A 3.33(4) 2_765
O35 K0A 3.29(6) 2_765
O35 K0A 2.62(5) .
O39 O0AA 1.64(17) .
O69 O76 1.60(5) 7_645
O69 K88 3.36(4) 13_665
O69 K88 2.67(3) .
O73 K88 3.36(4) 13_665
O73 K88 2.69(3) .
O74 O85 1.34(5) .
O74 O87 1.54(4) .
O75 K6 3.13(4) .
O76 K88 2.70(3) .
O76 K88 3.40(4) 13_665
O77 K78 3.28(6) .
O82 K88 2.68(3) .
O82 K88 3.35(4) 13_665
O83 K88 2.70(3) .
O83 K88 3.41(4) 13_665
O85 O86 1.40(5) 7_645
O1AA K3A 3.068(16) 9_765
O1AA K3A 3.068(16) .
K88 K88 1.60(9) 13_665
O6AA O6AA 1.03(6) 12_755
O6AA K0A 2.63(6) .
O9AA K3A 3.04(8) .
O0BA O0BA 0.6(3) 11_575
O3AA O3AA 1.34(13) 12_755
K0A K0A 1.53(11) 2_765
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 0.387 0.250 0.250 2190 509 ' '
2 0.385 0.750 -0.250 2190 509 ' '
