#------------------------------------------------------------------------------
#$Date: 2019-12-14 02:14:12 +0200 (Sat, 14 Dec 2019) $
#$Revision: 245115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/37/4133770.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_4133770
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(Co29.55 K26.35 Mo8 Na8.05 O1001.6 P40 W232), 5.63(O), Li0.8 O0.5'
_chemical_formula_sum            'Co3.69 K3.14 Li0.8 Mo Na1.28 O131.76 P5 W29'
_chemical_formula_weight         8066.07
_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             2019-08-05
_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                   52.118(3)
_cell_length_b                   21.5870(12)
_cell_length_c                   26.1688(16)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.75
_cell_measurement_theta_min      2.21
_cell_volume                     29442(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 0.999
_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  0.0739
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       65
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            113503
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.223
_diffrn_source                   'sealed tube'
_diffrn_source_type              fine-focus
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    23.286
_exptl_absorpt_correction_T_max  0.2607
_exptl_absorpt_correction_T_min  0.1297
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1658 before and 0.0595 after correction. The Ratio of minimum to maximum transmission is 0.4975. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'light pink'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    3.639
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             27944
_exptl_crystal_size_max          0.061
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.025
_refine_diff_density_max         3.490
_refine_diff_density_min         -4.222
_refine_diff_density_rms         0.413
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1075
_refine_ls_number_reflns         15645
_refine_ls_number_restraints     2382
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0831
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0336P)²+4917.0088P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1375
_refine_ls_wR_factor_ref         0.1506
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12323
_reflns_number_total             15645
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b10277_si_008.cif
_cod_data_source_block           CoMoImma
_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
'Co3.69 K3.14 Li0.80 Mo Na1.28 O131.76 P5 W29'
_cod_database_code               4133770
_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   0.641
_shelx_estimated_absorpt_t_min   0.372
_olex2_refinement_description
;
1. Shared sites
{W1, Mo1}
{W3, Mo3}
{W5, Mo5}
{W6, Mo6}
{W7, Mo}
{W9, Mo9}
{W10, Mo10}
{W11, Mo11}
{W12, Mo12}
{W13, Mo13}
2. Uiso/Uaniso restraints and constraints
: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O7BA) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O37) \\sim Ueq, Uanis(O40) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(Li17) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Co4) = Uanis(Co4B)
Uanis(Co1) = Uanis(Co0A)
Uanis(Co3) = Uanis(Co1)
Uanis(O43) = Uanis(O4AA) = Uanis(Co4B) = Uanis(Co4)
Uanis(O81) = Uanis(O0CA)
Uanis(W1) = Uanis(Mo1)
Uanis(W3) = Uanis(Mo3)
Uanis(W5) = Uanis(Mo5)
Uanis(W6) = Uanis(Mo6)
Uanis(W7) = Uanis(Mo)
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) Mo(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) Co1(0.75) Co3(0.25) Co4(0.1) Co5(0.25) Co5B(0.25)
 K1AA(0.25) K2B(0.5) K3(0.25) P4(0.25) P4B(0.25) P5(0.25) P5B(0.25) P6(0.25)
 Na2(0.25) O0CA(0.25) O4AA(0.25) O7AA(0.5) O37(0.5) O40(0.33333) O42(0.5)
 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) O3S(0.25) O4S(0.125) O28(0.25) O1S(0.125) O2(0.33333)
 O1(0.5) O1DA(0.5) O15(0.25) O2DA(0.25) O17(0.0625) O3DA(0.25) O4DA(0.25)
 Li17(0.4)
;
_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 0.96349(2) 0.67341(4) 0.00917(3) 0.0329(2) Uani 0.95 1 d . U . A 1
W3 W 0.90506(2) 0.67356(4) -0.07519(4) 0.0326(2) Uani 0.95 1 d . U . A 1
W5 W 0.88287(2) 0.67350(4) -0.21316(4) 0.0336(2) Uani 0.95 1 d . U . A 1
W6 W 0.90487(2) 0.67355(4) -0.34989(4) 0.0340(2) Uani 0.95 1 d . U . A 1
W7 W 0.96387(2) 0.67341(4) -0.43554(4) 0.0360(2) Uani 0.95 1 d . U . A 1
Mo1 Mo 0.96349(2) 0.67341(4) 0.00917(3) 0.0329(2) Uani 0.05 1 d . U . A 2
Mo3 Mo 0.90506(2) 0.67356(4) -0.07519(4) 0.0326(2) Uani 0.05 1 d . U . A 2
Mo5 Mo 0.88287(2) 0.67350(4) -0.21316(4) 0.0336(2) Uani 0.05 1 d . U . A 2
Mo6 Mo 0.90487(2) 0.67355(4) -0.34989(4) 0.0340(2) Uani 0.05 1 d . U . A 2
Mo Mo 0.96387(2) 0.67341(4) -0.43554(4) 0.0360(2) Uani 0.05 1 d . U . A 2
W4 W 0.94244(2) 0.59378(3) -0.25111(3) 0.01948(15) Uani 1 1 d . U . . .
W2 W 0.96409(2) 0.59367(3) -0.11516(3) 0.01919(15) Uani 1 1 d . U . . .
W8 W 1.000000 0.59227(5) -0.33588(4) 0.0205(2) Uani 1 2 d S TU P A .
W9 W 0.63503(2) 0.67373(4) 0.29550(4) 0.0378(2) Uani 0.95 1 d . U . B 1
W10 W 0.64349(2) 0.67359(4) 0.15186(4) 0.0382(2) Uani 0.95 1 d . U . B 1
W11 W 0.69259(2) 0.67348(4) 0.04567(4) 0.0394(2) Uani 0.95 1 d . U . B 1
W12 W 0.76382(2) 0.67354(4) 0.01816(3) 0.0401(2) Uani 0.95 1 d . U . B 1
W13 W 0.82958(2) 0.67320(4) 0.07870(4) 0.0388(2) Uani 0.95 1 d . U . A 1
Mo9 Mo 0.63503(2) 0.67373(4) 0.29550(4) 0.0378(2) Uani 0.05 1 d . U . B 2
Mo10 Mo 0.64349(2) 0.67359(4) 0.15186(4) 0.0382(2) Uani 0.05 1 d . U . B 2
Mo11 Mo 0.69259(2) 0.67348(4) 0.04567(4) 0.0394(2) Uani 0.05 1 d . U . B 2
Mo12 Mo 0.76382(2) 0.67354(4) 0.01816(3) 0.0401(2) Uani 0.05 1 d . U . B 2
Mo13 Mo 0.82958(2) 0.67320(4) 0.07870(4) 0.0388(2) Uani 0.05 1 d . U . A 2
W14 W 0.80246(3) 0.59361(7) 0.19203(6) 0.0226(3) Uani 0.5 1 d . U . A 1
W14B W 0.77579(3) 0.59319(7) 0.13946(6) 0.0225(3) Uani 0.5 1 d . U . A 2
W15 W 0.73767(3) 0.59366(7) 0.13169(6) 0.0229(3) Uani 0.5 1 d . U . A 1
W15B W 0.70545(3) 0.59311(7) 0.16626(6) 0.0212(3) Uani 0.5 1 d . U . A 2
W16 W 0.68917(3) 0.59334(7) 0.23626(6) 0.0225(3) Uani 0.5 1 d . U . A 1
Co1 Co 0.58652(10) 0.5558(2) 0.2771(2) 0.0617(12) Uani 0.75 1 d . U . B 1
Co0A Co 0.6270(6) 0.4939(16) 0.2045(14) 0.0617(12) Uani 0.118(9) 1 d . U . A 2
Co3 Co 0.8709(3) 0.5583(7) 0.0066(7) 0.0617(12) Uani 0.25 1 d . U . A .
Co4 Co 0.6634(5) 0.4418(13) 0.2625(13) 0.035(4) Uani 0.1 1 d . U . B 1
Co4B Co 0.6685(4) 0.4454(10) 0.3016(10) 0.035(4) Uani 0.129(8) 1 d . U . B 2
Co5 Co 0.7731(5) 0.4447(9) 0.0803(8) 0.083(6) Uani 0.25 1 d . U . A 1
Co5B Co 0.7516(4) 0.4417(9) 0.0780(6) 0.066(4) Uani 0.25 1 d . U . A 2
K1AA K 0.8976(3) 0.750000 0.0629(7) 0.068(3) Uani 0.5 2 d S TU P A .
K0AA K 0.61277(14) 0.500000 0.000000 0.0409(15) Uani 1 2 d S TU P . .
K2B K 0.6576(3) 0.4984(12) 0.0760(7) 0.118(6) Uani 0.5 1 d . U . A 2
K3 K 0.9505(4) 0.500000 0.000000 0.055(3) Uani 0.5 2 d S TU P A .
P1 P 0.96071(12) 0.750000 -0.1046(2) 0.0164(12) Uani 1 2 d S TU P A .
P2 P 0.93611(11) 0.750000 -0.2545(2) 0.0161(11) Uani 1 2 d S TU P A .
P3 P 1.000000 0.750000 -0.3466(4) 0.0203(17) Uani 1 4 d S TU P A .
P4 P 0.6836(2) 0.750000 0.2355(6) 0.020(2) Uani 0.5 2 d S TU P A 1
P4B P 0.7012(3) 0.750000 0.1579(6) 0.023(2) Uani 0.5 2 d S TU P A 2
P5 P 0.7364(3) 0.750000 0.1194(5) 0.022(2) Uani 0.5 2 d S TU P A 1
P5B P 0.7780(3) 0.750000 0.1277(5) 0.020(2) Uani 0.5 2 d S TU P A 2
P6 P 0.8077(2) 0.750000 0.1859(5) 0.020(2) Uani 0.5 2 d S TU P A 1
Na1 Na 1.000000 0.6791(11) -0.2128(7) 0.017(2) Uani 0.51(3) 2 d S TU P A .
Na2 Na 0.750000 0.6773(10) 0.250000 0.0159(19) Uani 0.5 2 d S TU P . .
O0CA O 0.6313(15) 0.482(3) 0.067(3) 0.059(6) Uani 0.25 1 d . U . A 2
O0AA O 0.9585(4) 0.750000 0.0451(7) 0.036(2) Uani 1 2 d S TU P . .
O1BA O 1.0239(3) 0.750000 -0.3818(6) 0.019(3) Uani 1 2 d S TU P . .
O2AA O 1.000000 0.6789(9) 0.0205(6) 0.029(3) Uani 1 2 d S TU P . .
O4AA O 0.6911(11) 0.418(3) 0.305(2) 0.035(4) Uani 0.25 1 d . U . B 1
O3AA O 0.9569(3) 0.6231(7) 0.0580(5) 0.037(2) Uani 1 1 d . U . . .
O5AA O 0.9280(3) 0.6782(6) -0.0170(5) 0.0315(19) Uani 1 1 d . U . . .
O6AA O 0.9698(2) 0.6189(6) -0.0456(5) 0.0239(18) Uani 1 1 d . U . . .
O7AA O 0.9695(3) 0.750000 -0.0474(6) 0.023(4) Uani 1 2 d . U . . .
O8AA O 0.9705(2) 0.6921(5) -0.1308(4) 0.0160(16) Uani 1 1 d . U . . .
O9AA O 1.000000 0.5883(8) -0.1261(7) 0.020(2) Uani 1 2 d S TU P . .
O0BA O 0.9309(3) 0.750000 -0.1032(7) 0.022(2) Uani 1 2 d S TU P . .
O2BA O 0.9295(2) 0.6197(6) -0.1050(5) 0.0231(19) Uani 1 1 d . U . . .
O3BA O 0.9588(3) 0.5166(6) -0.1024(5) 0.030(2) Uani 1 1 d . U . . .
O4BA O 0.9594(2) 0.5904(6) -0.1874(5) 0.0202(17) Uani 1 1 d . U . . .
O5BA O 0.8896(4) 0.750000 -0.0535(8) 0.033(2) Uani 1 2 d S TU P . .
O6BA O 0.8838(2) 0.6226(7) -0.0479(6) 0.036(3) Uani 1 1 d . U . . .
O7BA O 0.8885(2) 0.6811(6) -0.1409(6) 0.0303(18) Uani 1 1 d . U . . .
O8BA O 0.8638(3) 0.750000 -0.2138(8) 0.032(3) Uani 1 2 d S TU P . .
O9BA O 0.9123(3) 0.750000 -0.2202(7) 0.019(2) Uani 1 2 d S TU P . .
O1CA O 0.8576(2) 0.6225(6) -0.2092(6) 0.033(3) Uani 1 1 d . U . . .
O2CA O 0.8844(2) 0.6779(6) -0.2876(6) 0.0301(19) Uani 1 1 d . U . . .
O3CA O 0.9109(2) 0.6195(6) -0.2171(5) 0.0214(19) Uani 1 1 d . U . . .
O4CA O 0.9342(2) 0.5165(6) -0.2544(5) 0.024(2) Uani 1 1 d . U . . .
O5CA O 0.9746(2) 0.5878(6) -0.2833(4) 0.0190(17) Uani 1 1 d . U . . .
O6CA O 0.9263(2) 0.6196(6) -0.3133(5) 0.0218(19) Uani 1 1 d . U . . .
O7CA O 0.8852(3) 0.6225(6) -0.3816(6) 0.035(3) Uani 1 1 d . U . . .
O8CA O 0.8899(4) 0.750000 -0.3727(7) 0.030(3) Uani 1 2 d S TU P . .
O9CA O 0.9265(3) 0.750000 -0.3103(7) 0.019(2) Uani 1 2 d S TU P . .
O0DA O 0.9521(2) 0.6920(5) -0.2446(4) 0.0168(15) Uani 1 1 d . U . . .
O29 O 0.9748(2) 0.6192(6) -0.3835(5) 0.023(2) Uani 1 1 d . U . . .
O30 O 0.9308(3) 0.6792(6) -0.4014(5) 0.030(2) Uani 1 1 d . U . . .
O31 O 0.9541(3) 0.6219(7) -0.4828(5) 0.038(3) Uani 1 1 d . U . . .
O32 O 0.9576(4) 0.750000 -0.4704(8) 0.035(3) Uani 1 2 d S TU P . .
O33 O 1.000000 0.6781(9) -0.4559(7) 0.032(3) Uani 1 2 d S TU P . .
O34 O 1.000000 0.5152(8) -0.3535(7) 0.028(3) Uani 1 2 d S TU P . .
O35 O 1.000000 0.6918(8) -0.3138(6) 0.0179(19) Uani 1 2 d S TU P . .
O36 O 0.5625(4) 0.5809(9) 0.3394(7) 0.059(5) Uiso 1 1 d . U . . .
O37 O 0.6010(7) 0.4926(16) 0.3422(16) 0.061(7) Uani 0.5 1 d . U . . .
O38 O 0.6098(3) 0.6240(7) 0.3049(7) 0.046(3) Uani 1 1 d . U . . .
O39 O 0.6124(8) 0.539(2) 0.216(2) 0.065(8) Uani 0.41(4) 1 d . U . . .
O40 O 0.5708(11) 0.618(3) 0.219(2) 0.062(9) Uani 0.3333 1 d . U . . .
O41 O 0.5701(7) 0.4948(17) 0.0889(16) 0.083(13) Uani 0.59(5) 1 d . U . A .
O42 O 0.6094(10) 0.5898(17) 0.022(2) 0.108(12) Uani 0.5 1 d . U . A .
O43 O 0.6892(14) 0.421(3) 0.234(3) 0.035(4) Uani 0.18(3) 1 d . U . . .
O44 O 0.6807(5) 0.5175(12) 0.2338(11) 0.030(4) Uani 0.5 1 d . U . . .
O45 O 0.6624(2) 0.6189(6) 0.2856(6) 0.030(2) Uani 1 1 d . U . . .
O46 O 0.6460(3) 0.6791(6) 0.3674(6) 0.036(2) Uani 1 1 d . U . . .
O47 O 0.6169(3) 0.750000 0.3019(9) 0.039(3) Uani 1 2 d S TU P . .
O48 O 0.6317(3) 0.6796(7) 0.2227(7) 0.041(2) Uani 1 1 d . U . . .
O49 O 0.6637(3) 0.750000 0.2832(8) 0.031(3) Uani 1 2 d S TU P . .
O50 O 0.6700(3) 0.750000 0.1764(8) 0.031(2) Uani 1 2 d S TU P . .
O51 O 0.6687(2) 0.6198(6) 0.1761(6) 0.0329(19) Uani 1 1 d . U . . .
O52 O 0.6199(3) 0.6230(7) 0.1305(7) 0.043(3) Uani 1 1 d . U . . .
O53 O 0.6268(4) 0.750000 0.1357(9) 0.038(3) Uani 1 2 d S TU P . .
O54 O 0.6625(3) 0.6786(6) 0.0888(6) 0.039(2) Uani 1 1 d . U . . .
O55 O 0.7061(3) 0.6194(6) 0.0945(5) 0.0323(19) Uani 1 1 d . U . . .
O56 O 0.7072(4) 0.750000 0.0972(7) 0.029(2) Uani 1 2 d S TU P . .
O57 O 0.6833(4) 0.750000 0.0122(8) 0.039(3) Uani 1 2 d S TU P . .
O58 O 0.6806(3) 0.6245(7) 0.0009(6) 0.042(3) Uani 1 1 d . U . . .
O59 O 0.7262(3) 0.6784(6) 0.0173(5) 0.039(2) Uani 1 1 d . U . . .
O60 O 0.7672(3) 0.6233(7) -0.0320(5) 0.042(3) Uani 1 1 d . U . . .
O61 O 0.7667(5) 0.750000 -0.0184(7) 0.040(3) Uani 1 2 d S TU P . .
O62 O 0.7601(4) 0.750000 0.0765(7) 0.028(2) Uani 1 2 d S TU P . .
O63 O 0.7608(3) 0.6191(6) 0.0732(5) 0.0306(19) Uani 1 1 d . U . . .
O64 O 0.8004(3) 0.6797(6) 0.0345(6) 0.040(2) Uani 1 1 d . U . . .
O65 O 0.8467(3) 0.6234(7) 0.0419(6) 0.039(3) Uani 1 1 d . U . . .
O66 O 0.8427(4) 0.750000 0.0514(7) 0.034(3) Uani 1 2 d S TU P . .
O67 O 0.8098(4) 0.750000 0.1208(7) 0.030(2) Uani 1 2 d S TU P . .
O68 O 0.8109(3) 0.6199(6) 0.1195(5) 0.032(2) Uani 1 1 d . U . . .
O69 O 0.7935(4) 0.6930(11) 0.2028(9) 0.020(2) Uani 0.5 1 d . U . A 1
O70 O 0.8098(5) 0.5170(12) 0.1836(10) 0.028(5) Uani 0.5 1 d . U . . .
O71 O 0.7684(5) 0.5894(11) 0.1721(10) 0.021(2) Uani 0.5 1 d . U . A 1
O72 O 0.7793(5) 0.5163(12) 0.1247(11) 0.031(4) Uani 0.5 1 d . U . . .
O73 O 0.7390(5) 0.6908(11) 0.1511(9) 0.0212(19) Uani 0.5 1 d . U . A 1
O74 O 0.7174(5) 0.5888(11) 0.1927(10) 0.021(2) Uani 0.5 1 d . U . A 1
O75 O 0.7373(6) 0.5161(12) 0.1157(9) 0.029(4) Uani 0.5 1 d . U . . .
O76 O 0.6994(4) 0.6916(11) 0.2389(10) 0.021(2) Uani 0.5 1 d . U . A 1
O77 O 0.7655(10) 0.4041(16) 0.1318(18) 0.084(8) Uani 0.5 1 d . U . . .
O79 O 0.9323(7) 0.711(2) 0.1419(13) 0.087(9) Uani 0.5 1 d . U . . .
O80 O 0.9020(3) 0.6198(11) 0.0784(8) 0.078(5) Uani 1 1 d . U . . .
O81 O 0.6469(15) 0.471(3) 0.032(3) 0.059(6) Uani 0.25 1 d . U . A 1
O82 O 0.7132(4) 0.6914(11) 0.1796(9) 0.020(2) Uani 0.5 1 d . U . A 2
O83 O 0.7708(5) 0.6902(11) 0.1567(9) 0.020(2) Uani 0.5 1 d . U . A 2
O84 O 0.6998(6) 0.5181(12) 0.1550(11) 0.035(3) Uani 0.5 1 d . U . . .
O85 O 0.7070(5) 0.5915(11) 0.2370(9) 0.021(3) Uani 0.5 1 d . U . A 2
O86 O 0.7880(5) 0.5904(12) 0.2081(10) 0.026(3) Uani 0.5 1 d . U . A 2
O87 O 0.7422(5) 0.5885(11) 0.1633(10) 0.019(2) Uani 0.5 1 d . U . A 2
O3S O 0.750000 0.536(2) -0.250000 0.053(12) Uani 0.5 2 d S TU P . .
O6S O 1.000000 0.5620(12) 0.0915(10) 0.040(7) Uiso 1 2 d S TU P . .
O1AA O 1.000000 0.500000 0.000000 0.047(4) Uani 1 4 d S TU P A .
O5S O 1.000000 0.5750(11) 0.1086(10) 0.033(6) Uiso 1 2 d S TU P . .
K88 K 0.750000 0.7109(17) 0.250000 0.0163(18) Uani 0.152(14) 2 d S TU P A .
K0A K 1.000000 0.712(2) -0.2136(14) 0.017(2) Uani 0.142(16) 2 d S TU P A .
O4S O 1.000000 0.532(3) 0.214(2) 0.018(14) Uiso 0.25 2 d S TU P . .
O28 O 0.8495(13) 0.521(3) -0.034(3) 0.047(7) Uani 0.25 1 d . U . . .
O1S O 0.500000 0.500000 0.000000 0.10(3) Uiso 0.5 4 d S TU P . .
O2 O 0.9619(12) 0.673(3) -0.459(2) 0.051(17) Uiso 0.3333 1 d . U . A .
O1 O 0.7887(11) 0.679(3) -0.163(2) 0.109(18) Uiso 0.5 1 d . U . . .
O1DA O 0.5939(7) 0.5582(18) 0.1112(14) 0.056(9) Uiso 0.5 1 d . U . A .
O15 O 0.9018(13) 0.499(3) -0.025(2) 0.049(4) Uani 0.25 1 d . U . A .
O2DA O 0.9231(15) 0.750000 0.286(3) 0.10(2) Uiso 0.5 2 d S TU P . .
O17 O 1.000000 0.750000 0.434(8) 0.09(6) Uiso 0.25 4 d S TU P . .
O3DA O 0.8129(17) 0.750000 -0.203(3) 0.12(3) Uiso 0.5 2 d S TU P . .
O4DA O 0.6890(13) 0.397(4) 0.350(3) 0.062(18) Uani 0.25 1 d . U . B 2
Li17 Li 0.7512(17) 0.589(4) -0.267(3) 0.034(13) Uani 0.4 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 '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
K3 W1 K1AA 105.8(3) . .
O0AA W1 K1AA 50.6(7) . .
O0AA W1 K3 148.5(5) . .
O0AA W1 O2AA 90.3(9) . .
O0AA W1 O5AA 89.9(8) . .
O2AA W1 K1AA 139.0(6) . .
O2AA W1 K3 104.2(6) . .
O2AA W1 O5AA 166.8(6) . .
O3AA W1 K1AA 80.3(5) . .
O3AA W1 K3 52.3(5) . .
O3AA W1 O0AA 98.8(7) . .
O3AA W1 O2AA 97.0(7) . .
O3AA W1 O5AA 96.0(6) . .
O3AA W1 O6AA 101.9(6) . .
O5AA W1 K1AA 46.2(5) . .
O5AA W1 K3 82.2(5) . .
O6AA W1 K1AA 131.7(4) . .
O6AA W1 K3 50.9(4) . .
O6AA W1 O0AA 159.2(6) . .
O6AA W1 O2AA 89.1(6) . .
O6AA W1 O5AA 86.1(5) . .
O5AA W3 K1AA 47.7(5) . .
O5AA W3 O0BA 81.3(6) . .
O0BA W3 K1AA 92.8(4) . .
O2BA W3 K1AA 133.8(4) . .
O2BA W3 O5AA 86.6(5) . .
O2BA W3 O0BA 85.1(5) . .
O2BA W3 O5BA 158.6(6) . .
O2BA W3 O7BA 89.0(5) . .
O5BA W3 K1AA 48.5(7) . .
O5BA W3 O5AA 89.0(8) . .
O5BA W3 O0BA 73.5(5) . .
O5BA W3 O7BA 90.2(8) . .
O6BA W3 K1AA 80.0(5) . .
O6BA W3 O5AA 96.0(6) . .
O6BA W3 O0BA 172.1(6) . .
O6BA W3 O2BA 102.2(6) . .
O6BA W3 O5BA 99.1(7) . .
O6BA W3 O7BA 97.9(6) . .
O7BA W3 K1AA 136.8(4) . .
O7BA W3 O5AA 166.1(5) . .
O7BA W3 O0BA 85.1(6) . .
O7BA W5 O8BA 90.9(8) . .
O7BA W5 O9BA 85.0(6) . .
O7BA W5 O2CA 166.4(5) . .
O8BA W5 O9BA 74.0(5) . .
O8BA W5 O2CA 88.4(8) . .
O1CA W5 O7BA 96.5(6) . .
O1CA W5 O8BA 98.8(6) . .
O1CA W5 O9BA 172.7(5) . .
O1CA W5 O2CA 97.0(6) . .
O1CA W5 O3CA 101.7(6) . .
O2CA W5 O9BA 81.7(6) . .
O3CA W5 O7BA 89.2(5) . .
O3CA W5 O8BA 159.3(6) . .
O3CA W5 O9BA 85.4(5) . .
O3CA W5 O2CA 86.7(5) . .
O2CA W6 O9CA 81.6(6) . .
O6CA W6 O2CA 85.9(5) . .
O6CA W6 O8CA 159.0(6) . .
O6CA W6 O9CA 85.6(5) . .
O6CA W6 O30 88.8(5) . .
O7CA W6 O2CA 96.3(6) . .
O7CA W6 O6CA 101.8(6) . .
O7CA W6 O8CA 99.1(6) . .
O7CA W6 O9CA 172.2(6) . .
O7CA W6 O30 97.0(6) . .
O8CA W6 O2CA 89.8(7) . .
O8CA W6 O9CA 73.5(5) . .
O30 W6 O2CA 166.5(5) . .
O30 W6 O8CA 90.7(7) . .
O30 W6 O9CA 85.7(6) . .
O29 W7 O1BA 85.4(5) . 2_765
O29 W7 O30 88.6(5) . .
O29 W7 O32 158.7(6) . .
O29 W7 O33 86.5(7) . .
O30 W7 O1BA 85.2(6) . 2_765
O30 W7 O33 166.7(6) . .
O31 W7 O1BA 172.6(6) . 2_765
O31 W7 O29 101.9(6) . .
O31 W7 O30 96.2(6) . .
O31 W7 O32 99.4(7) . .
O31 W7 O33 97.0(7) . .
O32 W7 O1BA 73.4(6) . 2_765
O32 W7 O30 90.6(8) . .
O32 W7 O33 89.4(9) . .
O33 W7 O1BA 82.0(7) . 2_765
O2 W7 O1BA 133(6) . 2_765
O2 W7 O29 138(6) . .
O2 W7 O30 108(6) . .
O2 W7 O31 40(6) . .
O2 W7 O32 61(6) . .
O2 W7 O33 84(6) . .
K3 Mo1 K1AA 105.8(3) . .
O0AA Mo1 K1AA 50.6(7) . .
O0AA Mo1 K3 148.5(5) . .
O0AA Mo1 O2AA 90.3(9) . .
O0AA Mo1 O5AA 89.9(8) . .
O2AA Mo1 K1AA 139.0(6) . .
O2AA Mo1 K3 104.2(6) . .
O2AA Mo1 O5AA 166.8(6) . .
O3AA Mo1 K1AA 80.3(5) . .
O3AA Mo1 K3 52.3(5) . .
O3AA Mo1 O0AA 98.8(7) . .
O3AA Mo1 O2AA 97.0(7) . .
O3AA Mo1 O5AA 96.0(6) . .
O3AA Mo1 O6AA 101.9(6) . .
O5AA Mo1 K1AA 46.2(5) . .
O5AA Mo1 K3 82.2(5) . .
O6AA Mo1 K1AA 131.7(4) . .
O6AA Mo1 K3 50.9(4) . .
O6AA Mo1 O0AA 159.2(6) . .
O6AA Mo1 O2AA 89.1(6) . .
O6AA Mo1 O5AA 86.1(5) . .
O5AA Mo3 K1AA 47.7(5) . .
O5AA Mo3 O0BA 81.3(6) . .
O0BA Mo3 K1AA 92.8(4) . .
O2BA Mo3 K1AA 133.8(4) . .
O2BA Mo3 O5AA 86.6(5) . .
O2BA Mo3 O0BA 85.1(5) . .
O2BA Mo3 O5BA 158.6(6) . .
O2BA Mo3 O7BA 89.0(5) . .
O5BA Mo3 K1AA 48.5(7) . .
O5BA Mo3 O5AA 89.0(8) . .
O5BA Mo3 O0BA 73.5(5) . .
O5BA Mo3 O7BA 90.2(8) . .
O6BA Mo3 K1AA 80.0(5) . .
O6BA Mo3 O5AA 96.0(6) . .
O6BA Mo3 O0BA 172.1(6) . .
O6BA Mo3 O2BA 102.2(6) . .
O6BA Mo3 O5BA 99.1(7) . .
O6BA Mo3 O7BA 97.9(6) . .
O7BA Mo3 K1AA 136.8(4) . .
O7BA Mo3 O5AA 166.1(5) . .
O7BA Mo3 O0BA 85.1(6) . .
O7BA Mo5 O8BA 90.9(8) . .
O7BA Mo5 O9BA 85.0(6) . .
O7BA Mo5 O2CA 166.4(5) . .
O8BA Mo5 O9BA 74.0(5) . .
O8BA Mo5 O2CA 88.4(8) . .
O1CA Mo5 O7BA 96.5(6) . .
O1CA Mo5 O8BA 98.8(6) . .
O1CA Mo5 O9BA 172.7(5) . .
O1CA Mo5 O2CA 97.0(6) . .
O1CA Mo5 O3CA 101.7(6) . .
O2CA Mo5 O9BA 81.7(6) . .
O3CA Mo5 O7BA 89.2(5) . .
O3CA Mo5 O8BA 159.3(6) . .
O3CA Mo5 O9BA 85.4(5) . .
O3CA Mo5 O2CA 86.7(5) . .
O2CA Mo6 O9CA 81.6(6) . .
O6CA Mo6 O2CA 85.9(5) . .
O6CA Mo6 O8CA 159.0(6) . .
O6CA Mo6 O9CA 85.6(5) . .
O6CA Mo6 O30 88.8(5) . .
O7CA Mo6 O2CA 96.3(6) . .
O7CA Mo6 O6CA 101.8(6) . .
O7CA Mo6 O8CA 99.1(6) . .
O7CA Mo6 O9CA 172.2(6) . .
O7CA Mo6 O30 97.0(6) . .
O8CA Mo6 O2CA 89.8(7) . .
O8CA Mo6 O9CA 73.5(5) . .
O30 Mo6 O2CA 166.5(5) . .
O30 Mo6 O8CA 90.7(7) . .
O30 Mo6 O9CA 85.7(6) . .
O29 Mo O1BA 85.4(5) . 2_765
O29 Mo O30 88.6(5) . .
O29 Mo O32 158.7(6) . .
O29 Mo O33 86.5(7) . .
O30 Mo O1BA 85.2(6) . 2_765
O30 Mo O33 166.7(6) . .
O31 Mo O1BA 172.6(6) . 2_765
O31 Mo O29 101.9(6) . .
O31 Mo O30 96.2(6) . .
O31 Mo O32 99.4(7) . .
O31 Mo O33 97.0(7) . .
O32 Mo O1BA 73.4(6) . 2_765
O32 Mo O30 90.6(8) . .
O32 Mo O33 89.4(9) . .
O33 Mo O1BA 82.0(7) . 2_765
O2 Mo O1BA 133(6) . 2_765
O2 Mo O29 138(6) . .
O2 Mo O30 108(6) . .
O2 Mo O31 40(6) . .
O2 Mo O32 61(6) . .
O2 Mo O33 84(6) . .
Na1 W4 K0A 8.8(5) . .
O4BA W4 Na1 52.8(5) . .
O4BA W4 O3CA 90.1(5) . .
O4BA W4 O6CA 165.3(5) . .
O4BA W4 O0DA 82.0(5) . .
O4BA W4 K0A 57.7(7) . .
O3CA W4 Na1 115.0(4) . .
O3CA W4 O0DA 83.3(5) . .
O3CA W4 K0A 109.4(6) . .
O4CA W4 Na1 134.8(5) . .
O4CA W4 O4BA 97.0(6) . .
O4CA W4 O3CA 95.1(5) . .
O4CA W4 O5CA 97.7(5) . .
O4CA W4 O6CA 97.5(6) . .
O4CA W4 O0DA 178.1(5) . .
O4CA W4 K0A 143.6(7) . .
O5CA W4 Na1 55.0(4) . .
O5CA W4 O4BA 88.7(5) . .
O5CA W4 O3CA 167.2(5) . .
O5CA W4 O6CA 91.7(5) . .
O5CA W4 O0DA 84.0(5) . .
O5CA W4 K0A 59.6(6) . .
O6CA W4 Na1 116.5(5) . .
O6CA W4 O3CA 86.4(5) . .
O6CA W4 O0DA 83.4(5) . .
O6CA W4 K0A 110.2(7) . .
O0DA W4 Na1 45.7(4) . .
O0DA W4 K0A 36.9(6) . .
K3 W2 K0A 160.8(4) . .
Na1 W2 K3 160.2(3) . .
Na1 W2 K0A 8.6(5) . .
O6AA W2 K3 54.1(4) . .
O6AA W2 Na1 116.0(5) . .
O6AA W2 O8AA 83.0(5) . .
O6AA W2 K0A 110.4(6) . .
O8AA W2 K3 135.4(3) . .
O8AA W2 Na1 45.8(4) . .
O8AA W2 K0A 37.2(6) . .
O9AA W2 K3 106.2(6) . .
O9AA W2 Na1 54.7(6) . .
O9AA W2 O6AA 90.4(6) . .
O9AA W2 O8AA 83.1(6) . .
O9AA W2 O2BA 166.3(6) . .
O9AA W2 O4BA 88.6(6) . .
O9AA W2 K0A 59.4(6) . .
O2BA W2 K3 82.4(5) . .
O2BA W2 Na1 115.5(4) . .
O2BA W2 O6AA 86.1(5) . .
O2BA W2 O8AA 83.4(5) . .
O2BA W2 O4BA 91.5(5) . .
O2BA W2 K0A 109.6(5) . .
O3BA W2 K3 44.1(5) . .
O3BA W2 Na1 134.7(6) . .
O3BA W2 O6AA 96.6(6) . .
O3BA W2 O8AA 179.4(6) . .
O3BA W2 O9AA 97.3(7) . .
O3BA W2 O2BA 96.2(6) . .
O3BA W2 O4BA 97.8(6) . .
O3BA W2 K0A 143.3(7) . .
O4BA W2 K3 139.7(4) . .
O4BA W2 Na1 52.7(4) . .
O4BA W2 O6AA 165.6(5) . .
O4BA W2 O8AA 82.6(5) . .
O4BA W2 K0A 57.2(6) . .
Na1 W8 K0A 8.8(6) . .
O5CA W8 Na1 53.4(4) . .
O5CA W8 Na1 53.4(4) 12_755 .
O5CA W8 O5CA 87.7(7) 12_755 .
O5CA W8 O35 82.1(5) . .
O5CA W8 O35 82.1(5) 12_755 .
O5CA W8 K0A 58.2(5) 12_755 .
O5CA W8 K0A 58.2(5) . .
O29 W8 Na1 114.3(4) 12_755 .
O29 W8 Na1 114.3(4) . .
O29 W8 O5CA 164.9(5) . 12_755
O29 W8 O5CA 164.9(5) 12_755 .
O29 W8 O5CA 90.4(5) 12_755 12_755
O29 W8 O5CA 90.4(5) . .
O29 W8 O29 87.5(8) 12_755 .
O29 W8 O35 82.8(5) 12_755 .
O29 W8 O35 82.8(5) . .
O29 W8 K0A 108.4(6) 12_755 .
O29 W8 K0A 108.4(6) . .
O34 W8 Na1 135.7(7) . .
O34 W8 O5CA 98.3(6) . .
O34 W8 O5CA 98.3(6) . 12_755
O34 W8 O29 96.9(6) . 12_755
O34 W8 O29 96.9(6) . .
O34 W8 O35 179.5(7) . .
O34 W8 K0A 144.5(9) . .
O35 W8 Na1 44.8(5) . .
O35 W8 K0A 36.0(7) . .
O38 W9 O45 102.0(6) . .
O38 W9 O46 97.0(7) . .
O38 W9 O47 98.6(7) . .
O38 W9 O48 96.5(8) . .
O38 W9 O49 171.5(6) . .
O45 W9 O46 87.1(6) . .
O45 W9 O47 159.4(6) . .
O45 W9 O48 88.5(6) . .
O45 W9 O49 86.4(5) . .
O46 W9 O49 84.4(7) . .
O47 W9 O46 90.5(8) . .
O47 W9 O48 89.1(8) . .
O47 W9 O49 73.0(6) . .
O48 W9 O46 166.4(6) . .
O48 W9 O49 82.5(7) . .
O48 W10 O50 82.8(7) . .
O51 W10 O48 86.6(6) . .
O51 W10 O50 85.7(5) . .
O51 W10 O53 158.9(6) . .
O51 W10 O54 88.0(6) . .
O52 W10 O48 97.1(7) . .
O52 W10 O50 171.7(6) . .
O52 W10 O51 102.5(6) . .
O52 W10 O53 98.6(7) . .
O52 W10 O54 97.1(7) . .
O53 W10 O48 90.5(8) . .
O53 W10 O50 73.1(6) . .
O53 W10 O54 89.8(8) . .
O54 W10 O48 165.6(6) . .
O54 W10 O50 83.5(7) . .
O54 W11 O56 83.3(7) . .
O55 W11 O54 86.6(6) . .
O55 W11 O56 85.5(5) . .
O55 W11 O57 159.8(6) . .
O55 W11 O59 87.5(6) . .
O57 W11 O54 90.7(8) . .
O57 W11 O56 74.3(6) . .
O58 W11 O54 98.1(7) . .
O58 W11 O55 102.8(6) . .
O58 W11 O56 171.6(6) . .
O58 W11 O57 97.4(7) . .
O58 W11 O59 95.9(7) . .
O59 W11 O54 165.7(6) . .
O59 W11 O56 83.3(7) . .
O59 W11 O57 90.3(8) . .
O59 W12 O62 83.2(6) . .
O60 W12 O59 97.4(7) . .
O60 W12 O61 98.9(7) . .
O60 W12 O62 172.3(6) . .
O60 W12 O63 101.7(6) . .
O60 W12 O64 96.3(7) . .
O61 W12 O59 91.4(8) . .
O61 W12 O62 73.4(6) . .
O61 W12 O64 88.6(8) . .
O63 W12 O59 87.6(6) . .
O63 W12 O61 159.3(6) . .
O63 W12 O62 86.0(5) . .
O63 W12 O64 87.5(6) . .
O64 W12 O59 166.2(6) . .
O64 W12 O62 83.5(7) . .
O46 W13 K1AA 56.4(5) 7_645 .
O46 W13 O64 166.7(6) 7_645 .
O46 W13 O66 88.8(8) 7_645 .
O46 W13 O67 84.0(7) 7_645 .
O64 W13 K1AA 128.4(5) . .
O64 W13 O66 89.7(8) . .
O64 W13 O67 83.0(7) . .
O65 W13 K1AA 74.5(5) . .
O65 W13 O46 96.3(7) . 7_645
O65 W13 O64 97.0(7) . .
O65 W13 O66 98.5(7) . .
O65 W13 O67 171.6(6) . .
O65 W13 O68 102.2(6) . .
O66 W13 K1AA 44.0(7) . .
O66 W13 O67 73.1(6) . .
O67 W13 K1AA 98.9(4) . .
O68 W13 K1AA 142.9(5) . .
O68 W13 O46 88.1(6) . 7_645
O68 W13 O64 88.7(6) . .
O68 W13 O66 159.3(6) . .
O68 W13 O67 86.2(5) . .
O38 Mo9 O45 102.0(6) . .
O38 Mo9 O46 97.0(7) . .
O38 Mo9 O47 98.6(7) . .
O38 Mo9 O48 96.5(8) . .
O38 Mo9 O49 171.5(6) . .
O45 Mo9 O46 87.1(6) . .
O45 Mo9 O47 159.4(6) . .
O45 Mo9 O48 88.5(6) . .
O45 Mo9 O49 86.4(5) . .
O46 Mo9 O49 84.4(7) . .
O47 Mo9 O46 90.5(8) . .
O47 Mo9 O48 89.1(8) . .
O47 Mo9 O49 73.0(6) . .
O48 Mo9 O46 166.4(6) . .
O48 Mo9 O49 82.5(7) . .
O48 Mo10 O50 82.8(7) . .
O51 Mo10 O48 86.6(6) . .
O51 Mo10 O50 85.7(5) . .
O51 Mo10 O53 158.9(6) . .
O51 Mo10 O54 88.0(6) . .
O52 Mo10 O48 97.1(7) . .
O52 Mo10 O50 171.7(6) . .
O52 Mo10 O51 102.5(6) . .
O52 Mo10 O53 98.6(7) . .
O52 Mo10 O54 97.1(7) . .
O53 Mo10 O48 90.5(8) . .
O53 Mo10 O50 73.1(6) . .
O53 Mo10 O54 89.8(8) . .
O54 Mo10 O48 165.6(6) . .
O54 Mo10 O50 83.5(7) . .
O54 Mo11 O56 83.3(7) . .
O55 Mo11 O54 86.6(6) . .
O55 Mo11 O56 85.5(5) . .
O55 Mo11 O57 159.8(6) . .
O55 Mo11 O59 87.5(6) . .
O57 Mo11 O54 90.7(8) . .
O57 Mo11 O56 74.3(6) . .
O58 Mo11 O54 98.1(7) . .
O58 Mo11 O55 102.8(6) . .
O58 Mo11 O56 171.6(6) . .
O58 Mo11 O57 97.4(7) . .
O58 Mo11 O59 95.9(7) . .
O59 Mo11 O54 165.7(6) . .
O59 Mo11 O56 83.3(7) . .
O59 Mo11 O57 90.3(8) . .
O59 Mo12 O62 83.2(6) . .
O60 Mo12 O59 97.4(7) . .
O60 Mo12 O61 98.9(7) . .
O60 Mo12 O62 172.3(6) . .
O60 Mo12 O63 101.7(6) . .
O60 Mo12 O64 96.3(7) . .
O61 Mo12 O59 91.4(8) . .
O61 Mo12 O62 73.4(6) . .
O61 Mo12 O64 88.6(8) . .
O63 Mo12 O59 87.6(6) . .
O63 Mo12 O61 159.3(6) . .
O63 Mo12 O62 86.0(5) . .
O63 Mo12 O64 87.5(6) . .
O64 Mo12 O59 166.2(6) . .
O64 Mo12 O62 83.5(7) . .
O46 Mo13 K1AA 56.4(5) 7_645 .
O46 Mo13 O64 166.7(6) 7_645 .
O46 Mo13 O66 88.8(8) 7_645 .
O46 Mo13 O67 84.0(7) 7_645 .
O64 Mo13 K1AA 128.4(5) . .
O64 Mo13 O66 89.7(8) . .
O64 Mo13 O67 83.0(7) . .
O65 Mo13 K1AA 74.5(5) . .
O65 Mo13 O46 96.3(7) . 7_645
O65 Mo13 O64 97.0(7) . .
O65 Mo13 O66 98.5(7) . .
O65 Mo13 O67 171.6(6) . .
O65 Mo13 O68 102.2(6) . .
O66 Mo13 K1AA 44.0(7) . .
O66 Mo13 O67 73.1(6) . .
O67 Mo13 K1AA 98.9(4) . .
O68 Mo13 K1AA 142.9(5) . .
O68 Mo13 O46 88.1(6) . 7_645
O68 Mo13 O64 88.7(6) . .
O68 Mo13 O66 159.3(6) . .
O68 Mo13 O67 86.2(5) . .
W16 W14 Na2 76.34(8) 7_645 .
W16 W14 O45 60.5(4) 7_645 7_645
W16 W14 O68 149.6(4) 7_645 .
W16 W14 O69 85.8(6) 7_645 .
W16 W14 K88 77.79(10) 7_645 .
Na2 W14 K88 9.0(4) . .
O45 W14 Na2 115.7(4) 7_645 .
O45 W14 O68 89.9(6) 7_645 .
O45 W14 O69 83.7(7) 7_645 .
O45 W14 K88 109.9(5) 7_645 .
O68 W14 Na2 114.6(4) . .
O68 W14 O69 83.9(7) . .
O68 W14 K88 108.9(5) . .
O69 W14 Na2 45.7(7) . .
O69 W14 K88 36.8(7) . .
O70 W14 W16 94.1(9) . 7_645
O70 W14 Na2 135.0(9) . .
O70 W14 O45 95.6(10) . 7_645
O70 W14 O68 95.9(10) . .
O70 W14 O69 179.2(11) . .
O70 W14 O71 97.5(12) . .
O70 W14 K88 143.9(10) . .
O71 W14 W16 119.4(8) . 7_645
O71 W14 Na2 54.4(8) . .
O71 W14 O45 166.9(8) . 7_645
O71 W14 O68 87.6(9) . .
O71 W14 O69 83.3(10) . .
O71 W14 K88 59.1(8) . .
Na2 W14B K88 8.9(4) . .
O63 W14B Na2 113.9(4) . .
O63 W14B O68 92.9(6) . .
O63 W14B O83 82.0(7) . .
O63 W14B K88 108.3(5) . .
O68 W14B Na2 113.6(4) . .
O68 W14B O83 83.4(7) . .
O68 W14B K88 108.0(5) . .
O72 W14B Na2 134.1(10) . .
O72 W14B O63 96.8(10) . .
O72 W14B O68 97.1(10) . .
O72 W14B O83 178.8(12) . .
O72 W14B O86 98.4(13) . .
O72 W14B O87 97.1(12) . .
O72 W14B K88 143.0(10) . .
O83 W14B Na2 46.4(7) . .
O83 W14B K88 37.6(7) . .
O86 W14B Na2 52.8(8) . .
O86 W14B O63 164.6(9) . .
O86 W14B O68 87.1(10) . .
O86 W14B O83 82.7(10) . .
O86 W14B K88 57.4(8) . .
O87 W14B Na2 54.5(8) . .
O87 W14B O63 86.4(9) . .
O87 W14B O68 165.8(8) . .
O87 W14B O83 82.4(10) . .
O87 W14B O86 89.8(12) . .
O87 W14B K88 59.1(8) . .
Na2 W15 K88 8.9(4) . .
O55 W15 Na2 115.0(4) . .
O55 W15 O63 92.7(6) . .
O55 W15 O73 82.6(8) . .
O55 W15 K88 109.3(5) . .
O63 W15 Na2 113.7(4) . .
O63 W15 O73 84.0(7) . .
O63 W15 K88 108.3(5) . .
O71 W15 Na2 53.8(7) . .
O71 W15 O55 166.3(8) . .
O71 W15 O63 86.2(9) . .
O71 W15 O73 83.7(10) . .
O71 W15 K88 58.5(8) . .
O73 W15 Na2 46.5(7) . .
O73 W15 K88 37.6(8) . .
O74 W15 Na2 54.3(8) . .
O74 W15 O55 88.0(9) . .
O74 W15 O63 166.6(8) . .
O74 W15 O71 89.9(11) . .
O74 W15 O73 82.8(10) . .
O74 W15 K88 59.0(8) . .
O75 W15 Na2 133.6(9) . .
O75 W15 O55 98.2(10) . .
O75 W15 O63 95.1(10) . .
O75 W15 O71 95.5(12) . .
O75 W15 O73 178.8(12) . .
O75 W15 O74 98.1(12) . .
O75 W15 K88 142.5(9) . .
K2B W15B K88 172.2(6) . .
Na2 W15B K2B 178.9(5) . .
Na2 W15B K88 8.9(4) . .
O51 W15B K2B 68.3(5) . .
O51 W15B Na2 112.5(4) . .
O51 W15B O82 82.9(7) . .
O51 W15B K88 107.1(5) . .
O55 W15B K2B 66.0(5) . .
O55 W15B Na2 114.6(5) . .
O55 W15B O51 93.2(6) . .
O55 W15B O82 82.4(8) . .
O55 W15B K88 108.9(5) . .
O82 W15B K2B 134.8(7) . .
O82 W15B Na2 46.3(7) . .
O82 W15B K88 37.4(7) . .
O84 W15B K2B 44.9(11) . .
O84 W15B Na2 134.0(11) . .
O84 W15B O51 97.7(11) . .
O84 W15B O55 96.6(11) . .
O84 W15B O82 178.9(13) . .
O84 W15B O85 99.6(13) . .
O84 W15B O87 96.7(13) . .
O84 W15B K88 142.9(11) . .
O85 W15B K2B 127.5(8) . .
O85 W15B Na2 52.1(8) . .
O85 W15B O51 85.4(9) . .
O85 W15B O55 163.9(8) . .
O85 W15B O82 81.4(10) . .
O85 W15B O87 89.7(12) . .
O85 W15B K88 56.6(8) . .
O87 W15B K2B 124.9(8) . .
O87 W15B Na2 54.5(8) . .
O87 W15B O51 165.4(8) . .
O87 W15B O55 87.6(9) . .
O87 W15B O82 82.7(9) . .
O87 W15B K88 59.1(8) . .
W14 W16 Na2 72.99(8) 7_645 .
W14 W16 O45 61.5(4) 7_645 .
W14 W16 O51 153.2(4) 7_645 .
W14 W16 O76 84.9(7) 7_645 .
W14 W16 K88 74.69(11) 7_645 .
Na2 W16 K88 8.9(4) . .
O44 W16 W14 95.6(10) . 7_645
O44 W16 Na2 134.8(10) . .
O44 W16 O45 96.3(10) . .
O44 W16 O51 96.2(11) . .
O44 W16 O74 97.5(12) . .
O44 W16 O76 179.0(12) . .
O44 W16 K88 143.7(10) . .
O45 W16 Na2 114.0(4) . .
O45 W16 O51 93.3(6) . .
O45 W16 O76 83.2(7) . .
O45 W16 K88 108.5(5) . .
O51 W16 Na2 113.6(4) . .
O51 W16 O76 83.0(8) . .
O51 W16 K88 108.0(5) . .
O74 W16 W14 114.7(8) . 7_645
O74 W16 Na2 53.4(8) . .
O74 W16 O45 166.0(9) . .
O74 W16 O51 87.4(9) . .
O74 W16 O76 83.0(10) . .
O74 W16 K88 58.2(8) . .
O76 W16 Na2 46.1(7) . .
O76 W16 K88 37.2(7) . .
O4CA Co1 O36 101.0(7) 6_655 .
O4CA Co1 O37 91.1(9) 6_655 .
O4CA Co1 O39 84.5(12) 6_655 .
O4CA Co1 O40 89.1(15) 6_655 .
O36 Co1 O37 77.2(12) . .
O36 Co1 O39 174.3(12) . .
O36 Co1 O40 99.3(16) . .
O38 Co1 O4CA 174.8(6) . 6_655
O38 Co1 O36 83.9(7) . .
O38 Co1 O37 88.2(9) . .
O38 Co1 O39 90.7(12) . .
O38 Co1 O40 91.8(15) . .
O39 Co1 O37 104.6(18) . .
O39 Co1 O40 79(2) . .
O40 Co1 O37 176.4(19) . .
O39 Co0A K2B 116(3) . .
O6BA Co3 Co3 124.2(11) . 4_565
O6BA Co3 O65 92.9(9) . .
O6BA Co3 O28 155.9(19) . 4_565
O6BA Co3 O15 84.0(17) . .
O6BA Co3 O15 107(2) . 4_565
O65 Co3 Co3 136.2(8) . 4_565
O65 Co3 O28 94.2(19) . 4_565
O65 Co3 O15 170(2) . .
O65 Co3 O15 139(2) . 4_565
O28 Co3 Co3 57(2) . 4_565
O28 Co3 Co3 42.5(18) 4_565 4_565
O28 Co3 O6BA 96(2) . .
O28 Co3 O65 101(2) . .
O28 Co3 O28 60(3) . 4_565
O28 Co3 O15 88(3) . .
O28 Co3 O15 111(3) . 4_565
O28 Co3 O15 92(2) 4_565 .
O15 Co3 Co3 56.3(19) 4_565 4_565
O15 Co3 Co3 51.5(17) . 4_565
O15 Co3 O28 82(3) 4_565 4_565
O15 Co3 O15 35(3) 4_565 .
O4AA Co4 O1CA 90(2) . 6_655
O4AA Co4 O44 96(2) . .
O1CA Co4 O44 171.4(19) 6_655 .
O43 Co4 O4AA 64(4) . .
O43 Co4 O1CA 117(3) . 6_655
O43 Co4 O44 71(3) . .
O1CA Co4B O43 92(2) 6_655 .
O70 Co4B O1CA 172.6(16) 7_645 6_655
O70 Co4B O43 94(2) 7_645 .
O70 Co4B O4DA 89(3) 7_645 .
O4DA Co4B O43 97(3) . .
O72 Co5 O60 176.2(16) . 4_565
O77 Co5 O60 95.2(17) . 4_565
O77 Co5 O72 88.6(17) . .
O60 Co5B O75 171.4(15) 4_565 .
O77 Co5B O60 89.5(15) . 4_565
O77 Co5B O75 97.2(16) . .
O0AA K1AA W13 155.05(11) . 11_575
O0AA K1AA O46 139.8(6) . 13_665
O0AA K1AA O46 139.8(6) . 7_645
O5AA K1AA W13 139.0(7) . 11_575
O5AA K1AA W13 109.0(4) 11_575 11_575
O5AA K1AA O0AA 52.2(5) . .
O5AA K1AA O0AA 52.2(5) 11_575 .
O5AA K1AA O5AA 61.2(6) 11_575 .
O5AA K1AA O5BA 52.4(5) . .
O5AA K1AA O5BA 52.4(5) 11_575 .
O5AA K1AA O46 120.2(4) . 7_645
O5AA K1AA O46 120.2(4) 11_575 13_665
O5AA K1AA O46 167.3(8) 11_575 7_645
O5AA K1AA O46 167.3(8) . 13_665
O5BA K1AA W13 88.9(5) . 11_575
O5BA K1AA O0AA 89.5(6) . .
O5BA K1AA O46 117.1(7) . 7_645
O5BA K1AA O46 117.1(7) . 13_665
O46 K1AA W13 28.8(3) 13_665 11_575
O46 K1AA W13 61.0(4) 7_645 11_575
O46 K1AA O46 55.4(5) 7_645 13_665
O66 K1AA W13 27.7(2) . 11_575
O66 K1AA O0AA 165.7(9) . .
O66 K1AA O5AA 116.4(7) . 11_575
O66 K1AA O5AA 116.4(7) . .
O66 K1AA O5BA 76.2(7) . .
O66 K1AA O46 51.0(5) . 13_665
O66 K1AA O46 51.0(5) . 7_645
O79 K1AA W13 127.9(8) . 11_575
O79 K1AA W13 111.6(9) 11_575 11_575
O79 K1AA O0AA 58.8(8) . .
O79 K1AA O0AA 58.8(8) 11_575 .
O79 K1AA O5AA 91.1(9) . .
O79 K1AA O5AA 91.1(9) 11_575 11_575
O79 K1AA O5AA 108.4(10) . 11_575
O79 K1AA O5AA 108.4(10) 11_575 .
O79 K1AA O5BA 143.0(9) . .
O79 K1AA O5BA 143.0(9) 11_575 .
O79 K1AA O46 84.3(9) 11_575 13_665
O79 K1AA O46 99.9(9) . 13_665
O79 K1AA O46 99.9(9) 11_575 7_645
O79 K1AA O46 84.3(9) . 7_645
O79 K1AA O66 134.5(9) 11_575 .
O79 K1AA O66 134.5(9) . .
O79 K1AA O79 34(2) . 11_575
O80 K1AA W13 69.0(4) 11_575 11_575
O80 K1AA W13 118.2(6) . 11_575
O80 K1AA O0AA 86.7(5) . .
O80 K1AA O0AA 86.7(5) 11_575 .
O80 K1AA O5AA 123.9(6) 11_575 .
O80 K1AA O5AA 123.9(6) . 11_575
O80 K1AA O5AA 63.5(5) . .
O80 K1AA O5AA 63.5(5) 11_575 11_575
O80 K1AA O5BA 98.7(6) . .
O80 K1AA O5BA 98.7(6) 11_575 .
O80 K1AA O46 115.8(6) . 13_665
O80 K1AA O46 115.8(6) 11_575 7_645
O80 K1AA O46 61.2(5) 11_575 13_665
O80 K1AA O46 61.2(5) . 7_645
O80 K1AA O66 95.4(5) . .
O80 K1AA O66 95.4(5) 11_575 .
O80 K1AA O79 97.8(13) 11_575 .
O80 K1AA O79 97.8(13) . 11_575
O80 K1AA O79 63.9(12) 11_575 11_575
O80 K1AA O79 63.9(12) . .
O80 K1AA O80 161.2(12) 11_575 .
K2B K0AA O41 173.9(9) 4_565 .
K2B K0AA O41 93.3(9) . .
K2B K0AA O1DA 70.2(7) . .
K2B K0AA O1DA 142.1(8) 4_565 .
O0CA K0AA K2B 23(2) . .
O0CA K0AA K2B 101(2) 4_565 .
O0CA K0AA O41 73(2) . .
O0CA K0AA O41 163(2) 4_565 .
O0CA K0AA O1DA 145(2) 4_565 .
O0CA K0AA O1DA 57(2) . .
O41 K0AA O41 92.7(16) . 4_565
O41 K0AA O1DA 34.5(10) 4_565 4_565
O41 K0AA O1DA 114.6(10) . 4_565
O41 K0AA O1DA 34.4(10) . .
O41 K0AA O1DA 114.6(10) 4_565 .
O42 K0AA K2B 103.8(13) 4_565 .
O42 K0AA K2B 83.8(19) . .
O42 K0AA K2B 103.8(13) . 4_565
O42 K0AA K2B 83.8(19) 4_565 4_565
O42 K0AA O0CA 89(3) 4_565 4_565
O42 K0AA O0CA 96(2) . 4_565
O42 K0AA O0CA 96(2) 4_565 .
O42 K0AA O0CA 89(3) . .
O42 K0AA O41 76.7(13) . .
O42 K0AA O41 96(2) 4_565 .
O42 K0AA O41 76.7(13) 4_565 4_565
O42 K0AA O41 96(2) . 4_565
O42 K0AA O42 170(3) 4_565 .
O42 K0AA O81 104(3) 4_565 4_565
O42 K0AA O81 104(3) . .
O42 K0AA O81 84(2) 4_565 .
O42 K0AA O81 84(2) . 4_565
O42 K0AA O1DA 126(2) 4_565 .
O42 K0AA O1DA 50.5(15) 4_565 4_565
O42 K0AA O1DA 126(2) . 4_565
O42 K0AA O1DA 50.5(15) . .
O81 K0AA K2B 67(2) . 4_565
O81 K0AA K2B 22(2) 4_565 4_565
O81 K0AA O41 107(2) . .
O81 K0AA O41 107(2) 4_565 4_565
O81 K0AA O41 154(2) . 4_565
O81 K0AA O41 154(2) 4_565 .
O81 K0AA O81 61(5) 4_565 .
O81 K0AA O1DA 120(2) 4_565 .
O81 K0AA O1DA 90(2) . .
O81 K0AA O1DA 120(2) . 4_565
O81 K0AA O1DA 90(2) 4_565 4_565
O1DA K0AA O1DA 145.6(13) 4_565 .
Co0A K2B W15B 75.4(6) . .
K0AA K2B W15B 148.5(8) . .
K0AA K2B Co0A 105.0(8) . .
K0AA K2B K2B 49.6(4) . 4_565
K2B K2B W15B 125.6(7) 4_565 .
O0CA K2B W15B 145(3) . .
O0CA K2B Co0A 75(3) . .
O0CA K2B K0AA 34(3) . .
O0CA K2B O84 147(3) . .
O84 K2B W15B 22.8(5) . .
O84 K2B Co0A 72.6(9) . .
O84 K2B K0AA 170.9(11) . .
O84 K2B K2B 132.5(7) . 4_565
W2 K3 Mo1 116.86(17) 4_565 .
W2 K3 Mo1 58.69(6) . .
W2 K3 W2 157.9(6) 4_565 .
O3AA K3 Mo1 149.3(4) 4_565 .
O3AA K3 Mo1 26.1(2) . .
O3AA K3 W2 92.8(3) . 4_565
O3AA K3 W2 84.8(3) 4_565 4_565
O3AA K3 W2 92.8(3) 4_565 .
O3AA K3 W2 84.8(3) . .
O3AA K3 O3AA 167.5(9) . 4_565
O6AA K3 Mo1 29.1(2) . .
O6AA K3 Mo1 139.0(5) 4_565 .
O6AA K3 W2 31.2(2) . .
O6AA K3 W2 136.6(5) . 4_565
O6AA K3 W2 136.6(5) 4_565 .
O6AA K3 W2 31.2(2) 4_565 4_565
O6AA K3 O3AA 120.3(4) 4_565 .
O6AA K3 O3AA 54.7(3) 4_565 4_565
O6AA K3 O3AA 120.3(4) . 4_565
O6AA K3 O3AA 54.7(3) . .
O6AA K3 O6AA 140.9(8) 4_565 .
O3BA K3 Mo1 92.2(3) 4_565 .
O3BA K3 Mo1 84.6(3) . .
O3BA K3 W2 25.9(3) 4_565 4_565
O3BA K3 W2 147.0(5) . 4_565
O3BA K3 W2 147.0(5) 4_565 .
O3BA K3 W2 25.9(3) . .
O3BA K3 O3AA 110.6(4) 4_565 4_565
O3BA K3 O3AA 67.2(4) . 4_565
O3BA K3 O3AA 110.6(4) . .
O3BA K3 O3AA 67.2(4) 4_565 .
O3BA K3 O6AA 56.4(4) . .
O3BA K3 O6AA 116.6(5) . 4_565
O3BA K3 O6AA 116.6(5) 4_565 .
O3BA K3 O6AA 56.4(4) 4_565 4_565
O3BA K3 O3BA 161.8(10) 4_565 .
O1AA K3 Mo1 79.8(3) . .
O1AA K3 W2 79.0(3) . .
O1AA K3 W2 79.0(3) . 4_565
O1AA K3 O3AA 83.8(4) . 4_565
O1AA K3 O3AA 83.8(4) . .
O1AA K3 O6AA 70.4(4) . 4_565
O1AA K3 O6AA 70.4(4) . .
O1AA K3 O3BA 80.9(5) . 4_565
O1AA K3 O3BA 80.9(5) . .
O1AA K3 O15 165.5(13) . 4_565
O1AA K3 O15 165.5(13) . .
O15 K3 Mo1 101.3(15) . .
O15 K3 Mo1 98.5(15) 4_565 .
O15 K3 W2 112.6(14) 4_565 .
O15 K3 W2 89.2(13) . .
O15 K3 W2 112.6(14) . 4_565
O15 K3 W2 89.2(13) 4_565 4_565
O15 K3 O3AA 103.6(15) . .
O15 K3 O3AA 103.6(15) 4_565 4_565
O15 K3 O3AA 88.5(15) . 4_565
O15 K3 O3AA 88.5(15) 4_565 .
O15 K3 O6AA 114.6(15) . 4_565
O15 K3 O6AA 114.6(15) 4_565 .
O15 K3 O6AA 103.4(14) . .
O15 K3 O6AA 103.4(14) 4_565 4_565
O15 K3 O3BA 113.4(14) . 4_565
O15 K3 O3BA 113.4(14) 4_565 .
O15 K3 O3BA 84.9(14) . .
O15 K3 O3BA 84.9(14) 4_565 4_565
O15 K3 O15 29(3) 4_565 .
O8AA P1 O8AA 111.3(9) . 11_575
O8AA P1 O0BA 110.4(6) . .
O8AA P1 O0BA 110.4(6) 11_575 .
O8AA P1 K0A 42.6(9) 11_575 2_765
O8AA P1 K0A 68.7(9) 11_575 .
O8AA P1 K0A 42.6(9) . .
O8AA P1 K0A 68.7(9) . 2_765
O0BA P1 K0A 126.0(8) . .
O0BA P1 K0A 126.0(8) . 2_765
K0A P1 K0A 26.1(14) . 2_765
O9BA P2 O9CA 106.9(10) . .
O9BA P2 K0A 125.2(9) . .
O9BA P2 K0A 125.2(9) . 2_765
O9CA P2 K0A 125.6(9) . .
O9CA P2 K0A 125.6(9) . 2_765
O0DA P2 O9BA 110.1(6) . .
O0DA P2 O9BA 110.1(6) 11_575 .
O0DA P2 O9CA 109.8(6) 11_575 .
O0DA P2 O9CA 109.8(6) . .
O0DA P2 O0DA 110.1(9) . 11_575
O0DA P2 K0A 68.1(8) . 2_765
O0DA P2 K0A 42.0(8) 11_575 2_765
O0DA P2 K0A 68.1(8) 11_575 .
O0DA P2 K0A 42.0(8) . .
K0A P2 K0A 26.2(14) 2_765 .
O1BA P3 O1BA 107.1(13) 2_765 .
O1BA P3 K0A 125.4(6) 2_765 2_765
O1BA P3 K0A 125.4(6) . .
O1BA P3 K0A 125.4(6) 2_765 .
O1BA P3 K0A 125.4(6) . 2_765
O35 P3 O1BA 109.6(4) . 2_765
O35 P3 O1BA 109.6(4) 2_765 2_765
O35 P3 O1BA 109.6(4) 2_765 .
O35 P3 O1BA 109.6(4) . .
O35 P3 O35 111.4(14) 2_765 .
O35 P3 K0A 42.5(10) 2_765 2_765
O35 P3 K0A 68.9(10) 2_765 .
O35 P3 K0A 42.5(10) . .
O35 P3 K0A 68.9(10) . 2_765
K0A P3 K0A 26.3(14) 2_765 .
P6 P4 K88 71.8(5) 13_665 .
P6 P4 K88 71.8(5) 13_665 13_665
O49 P4 P6 52.3(9) . 13_665
O49 P4 O50 115.6(12) . .
O49 P4 K88 122.5(9) . 13_665
O49 P4 K88 122.5(9) . .
O50 P4 P6 167.8(11) . 13_665
O50 P4 K88 119.9(9) . 13_665
O50 P4 K88 119.9(9) . .
O76 P4 P6 79.9(11) 11_575 13_665
O76 P4 P6 79.9(11) . 13_665
O76 P4 O49 107.7(12) 11_575 .
O76 P4 O49 107.7(12) . .
O76 P4 O50 106.3(12) . .
O76 P4 O50 106.3(12) 11_575 .
O76 P4 O76 113(2) . 11_575
O76 P4 K88 43.0(11) . .
O76 P4 K88 70.3(12) 11_575 .
O76 P4 K88 70.3(12) . 13_665
O76 P4 K88 43.0(11) 11_575 13_665
K88 P4 K88 27.3(12) . 13_665
O50 P4B K88 119.1(9) . 13_665
O50 P4B K88 119.1(9) . .
O56 P4B O50 117.7(12) . .
O56 P4B K88 121.3(9) . .
O56 P4B K88 121.3(9) . 13_665
O82 P4B O50 106.7(11) 11_575 .
O82 P4B O50 106.7(11) . .
O82 P4B O56 106.6(12) 11_575 .
O82 P4B O56 106.6(12) . .
O82 P4B O82 113(2) 11_575 .
O82 P4B K88 69.9(12) 11_575 .
O82 P4B K88 42.8(11) . .
K88 P4B K88 27.1(12) . 13_665
O56 P5 O62 116.9(12) . .
O56 P5 K88 121.6(9) . 13_665
O56 P5 K88 121.6(9) . .
O62 P5 K88 119.6(9) . 13_665
O62 P5 K88 119.6(9) . .
O73 P5 O56 106.1(12) 11_575 .
O73 P5 O56 106.1(12) . .
O73 P5 O62 107.4(11) 11_575 .
O73 P5 O62 107.4(11) . .
O73 P5 O73 113(2) . 11_575
O73 P5 K88 43.0(12) . .
O73 P5 K88 70.2(12) . 13_665
O73 P5 K88 43.0(12) 11_575 13_665
O73 P5 K88 70.2(12) 11_575 .
K88 P5 K88 27.2(12) . 13_665
O62 P5B O67 118.7(12) . .
O62 P5B K88 119.7(9) . .
O62 P5B K88 119.7(9) . 13_665
O67 P5B K88 119.8(9) . .
O67 P5B K88 119.8(9) . 13_665
O83 P5B O62 105.4(11) 11_575 .
O83 P5B O62 105.4(11) . .
O83 P5B O67 107.1(11) 11_575 .
O83 P5B O67 107.1(11) . .
O83 P5B K88 70.2(11) 11_575 .
O83 P5B K88 43.2(11) . .
K88 P5B K88 27.0(11) . 13_665
P4 P6 K88 73.8(5) 13_665 .
P4 P6 K88 73.8(5) 13_665 13_665
O49 P6 P4 49.1(8) 13_665 13_665
O49 P6 O67 114.8(12) 13_665 .
O49 P6 K88 121.3(9) 13_665 .
O49 P6 K88 121.3(9) 13_665 13_665
O67 P6 P4 163.9(11) . 13_665
O67 P6 K88 121.8(9) . .
O67 P6 K88 121.8(9) . 13_665
O69 P6 P4 79.4(11) . 13_665
O69 P6 P4 79.4(11) 11_575 13_665
O69 P6 O49 106.9(12) . 13_665
O69 P6 O49 106.9(12) 11_575 13_665
O69 P6 O67 109.1(12) 11_575 .
O69 P6 O67 109.1(12) . .
O69 P6 O69 110.1(19) 11_575 .
O69 P6 K88 41.3(11) 11_575 13_665
O69 P6 K88 68.8(11) 11_575 .
O69 P6 K88 41.3(11) . .
O69 P6 K88 68.9(11) . 13_665
K88 P6 K88 27.6(12) . 13_665
O8AA Na1 O8AA 70.7(7) 12_755 .
O8AA Na1 O9AA 57.1(5) 12_755 .
O8AA Na1 O9AA 57.1(5) . .
O8AA Na1 O4BA 57.8(4) . .
O8AA Na1 O4BA 57.8(4) 12_755 12_755
O8AA Na1 O4BA 107.7(7) 12_755 .
O8AA Na1 O4BA 107.7(7) . 12_755
O8AA Na1 O5CA 108.1(5) 12_755 12_755
O8AA Na1 O5CA 145.1(9) . 12_755
O8AA Na1 O5CA 145.1(9) 12_755 .
O8AA Na1 O5CA 108.1(5) . .
O8AA Na1 O35 142.5(5) 12_755 .
O8AA Na1 O35 142.5(5) . .
O9AA Na1 O5CA 92.1(7) . .
O9AA Na1 O5CA 92.1(7) . 12_755
O4BA Na1 O9AA 53.2(4) . .
O4BA Na1 O9AA 53.2(4) 12_755 .
O4BA Na1 O4BA 92.5(8) 12_755 .
O4BA Na1 O5CA 91.7(7) . 12_755
O4BA Na1 O5CA 52.6(4) 12_755 12_755
O4BA Na1 O5CA 91.7(7) 12_755 .
O4BA Na1 O5CA 52.6(4) . .
O5CA Na1 O5CA 52.2(6) 12_755 .
O0DA Na1 O8AA 72.4(4) . .
O0DA Na1 O8AA 142.1(7) 12_755 .
O0DA Na1 O8AA 142.1(7) . 12_755
O0DA Na1 O8AA 72.4(4) 12_755 12_755
O0DA Na1 O9AA 107.9(5) . .
O0DA Na1 O9AA 107.9(5) 12_755 .
O0DA Na1 O4BA 57.2(4) 12_755 12_755
O0DA Na1 O4BA 145.3(9) 12_755 .
O0DA Na1 O4BA 145.3(9) . 12_755
O0DA Na1 O4BA 57.2(4) . .
O0DA Na1 O5CA 106.9(7) 12_755 .
O0DA Na1 O5CA 57.4(4) 12_755 12_755
O0DA Na1 O5CA 57.4(4) . .
O0DA Na1 O5CA 106.9(7) . 12_755
O0DA Na1 O0DA 141.3(9) 12_755 .
O0DA Na1 O35 71.1(5) 12_755 .
O0DA Na1 O35 71.1(5) . .
O35 Na1 O9AA 145.1(10) . .
O35 Na1 O4BA 107.0(6) . 12_755
O35 Na1 O4BA 107.0(6) . .
O35 Na1 O5CA 57.1(5) . .
O35 Na1 O5CA 57.1(5) . 12_755
K0A Na1 O8AA 84.4(10) 2_765 12_755
K0A Na1 O8AA 85(3) . 12_755
K0A Na1 O8AA 85(3) . .
K0A Na1 O8AA 84.4(10) 2_765 .
K0A Na1 O9AA 133(4) . .
K0A Na1 O9AA 131.3(13) 2_765 .
K0A Na1 O4BA 130.9(6) 2_765 12_755
K0A Na1 O4BA 131.3(11) . .
K0A Na1 O4BA 130.9(6) 2_765 .
K0A Na1 O4BA 131.3(11) . 12_755
K0A Na1 O5CA 130.5(11) 2_765 12_755
K0A Na1 O5CA 130.5(11) 2_765 .
K0A Na1 O5CA 130(3) . .
K0A Na1 O5CA 130(3) . 12_755
K0A Na1 O0DA 83.8(7) 2_765 12_755
K0A Na1 O0DA 83.4(13) . 12_755
K0A Na1 O0DA 83.8(7) 2_765 .
K0A Na1 O0DA 83.4(13) . .
K0A Na1 O35 83.6(12) 2_765 .
K0A Na1 O35 82(4) . .
K0A Na1 K0A 1(2) . 2_765
O69 Na2 O69 165.1(14) . 7_645
O69 Na2 O73 105.0(8) 7_645 .
O69 Na2 O73 73.3(7) . .
O69 Na2 O73 105.0(8) . 7_645
O69 Na2 O73 73.3(7) 7_645 7_645
O69 Na2 O76 34.6(8) . 7_645
O69 Na2 O76 34.6(8) 7_645 .
O69 Na2 O76 142.5(8) . .
O69 Na2 O76 142.5(8) 7_645 7_645
O69 Na2 O82 106.5(8) 7_645 7_645
O69 Na2 O82 71.7(8) . 7_645
O69 Na2 O83 140.2(8) . 7_645
O69 Na2 O83 37.3(7) 7_645 7_645
O73 Na2 O73 167.5(14) 7_645 .
O73 Na2 O76 70.7(8) 7_645 7_645
O73 Na2 O76 70.7(8) . .
O73 Na2 O76 107.8(8) 7_645 .
O73 Na2 O76 107.8(8) . 7_645
O73 Na2 O82 33.5(7) 7_645 7_645
O73 Na2 O82 144.0(8) . 7_645
O73 Na2 O83 36.2(7) 7_645 7_645
O73 Na2 O83 141.7(8) . 7_645
O76 Na2 O76 166.8(14) 7_645 .
O76 Na2 O82 37.3(7) 7_645 7_645
O76 Na2 O82 140.3(8) . 7_645
O76 Na2 O83 106.7(8) 7_645 7_645
O76 Na2 O83 71.9(8) . 7_645
O82 Na2 O83 69.6(7) . .
O82 Na2 O83 108.9(7) 7_645 .
O83 Na2 O83 168.1(13) 7_645 .
K88 Na2 O69 82.5(7) . .
K88 Na2 O69 82.5(7) 13_665 .
K88 Na2 O69 82.5(7) 13_665 7_645
K88 Na2 O69 82.5(7) . 7_645
K88 Na2 O73 83.7(7) . 7_645
K88 Na2 O73 83.7(7) 13_665 .
K88 Na2 O73 83.7(7) . .
K88 Na2 O73 83.7(7) 13_665 7_645
K88 Na2 O76 83.4(7) . 7_645
K88 Na2 O76 83.4(7) 13_665 7_645
K88 Na2 O76 83.4(7) 13_665 .
K88 Na2 O76 83.4(7) . .
K88 Na2 O82 83.5(7) 13_665 7_645
K88 Na2 O82 83.5(7) . .
K88 Na2 O82 83.5(7) . 7_645
K88 Na2 O82 83.5(7) 13_665 .
K88 Na2 O83 84.1(7) . 7_645
K88 Na2 O83 84.1(7) 13_665 7_645
K88 Na2 O83 84.1(7) . .
K88 Na2 O83 84.1(7) 13_665 .
K88 Na2 K88 0.000(3) . 13_665
K2B O0CA K0AA 123(5) . .
W1 O0AA W1 118.9(10) . 11_575
W1 O0AA K1AA 101.8(7) . .
W1 O0AA K1AA 101.8(7) 11_575 .
Mo1 O0AA K1AA 101.8(7) . .
W7 O1BA W7 93.9(6) 12_755 2_765
P3 O1BA W7 126.6(5) . 2_765
P3 O1BA W7 126.6(5) . 12_755
W1 O2AA W1 160.9(10) 12_755 .
W1 O3AA K3 101.6(6) . .
Mo1 O3AA K3 101.6(6) . .
W1 O5AA K1AA 106.0(7) . .
W3 O5AA W1 147.9(7) . .
W3 O5AA K1AA 104.2(7) . .
Mo1 O5AA K1AA 106.0(7) . .
Mo3 O5AA Mo1 147.9(7) . .
Mo3 O5AA K1AA 104.2(7) . .
W1 O6AA W2 150.5(7) . .
W1 O6AA K3 99.9(5) . .
Mo1 O6AA W2 150.5(7) . .
Mo1 O6AA K3 99.9(5) . .
W2 O6AA K3 94.7(5) . .
W2 O8AA Na1 97.9(6) . .
W2 O8AA K0A 141.8(8) . 2_765
W2 O8AA K0A 113.3(11) . .
P1 O8AA W2 131.7(7) . .
P1 O8AA Na1 130.4(8) . .
P1 O8AA K0A 115.0(11) . .
P1 O8AA K0A 86.5(9) . 2_765
Na1 O8AA K0A 15.4(8) . .
Na1 O8AA K0A 43.9(11) . 2_765
K0A O8AA K0A 28.5(16) . 2_765
W2 O9AA W2 161.3(10) . 12_755
W2 O9AA Na1 94.3(5) 12_755 .
W2 O9AA Na1 94.3(5) . .
W3 O0BA W3 94.2(6) . 11_575
P1 O0BA W3 127.3(5) . 11_575
P1 O0BA W3 127.3(5) . .
P1 O0BA Mo3 127.3(5) . .
W3 O2BA W2 150.9(7) . .
Mo3 O2BA W2 150.9(7) . .
W2 O3BA K3 110.0(6) . .
W4 O4BA W2 159.1(7) . .
W4 O4BA Na1 96.4(6) . .
W2 O4BA Na1 96.1(6) . .
W3 O5BA W3 118.4(9) 11_575 .
W3 O5BA K1AA 103.6(7) 11_575 .
W3 O5BA K1AA 103.6(7) . .
Mo3 O5BA K1AA 103.6(7) . .
W3 O6BA Co3 155.9(10) . .
Mo3 O6BA Co3 155.9(10) . .
W5 O7BA W3 159.9(7) . .
Mo5 O7BA Mo3 159.9(7) . .
W5 O8BA W5 117.9(9) . 11_575
W5 O9BA W5 93.7(6) 11_575 .
P2 O9BA W5 126.7(5) . 11_575
P2 O9BA W5 126.7(5) . .
P2 O9BA Mo5 126.7(5) . .
W5 O1CA Co4 151.4(13) . 6_654
W5 O1CA Co4B 171.4(11) . 6_654
Co4 O1CA Co4B 31.1(11) 6_654 6_654
W6 O2CA W5 148.8(7) . .
Mo6 O2CA Mo5 148.8(7) . .
W5 O3CA W4 149.4(7) . .
Mo5 O3CA W4 149.4(7) . .
W4 O4CA Co1 147.1(8) . 6_654
W4 O5CA W8 159.5(7) . .
W4 O5CA Na1 94.1(5) . .
W8 O5CA Na1 96.0(5) . .
W6 O6CA W4 151.1(7) . .
Mo6 O6CA W4 151.1(7) . .
W6 O8CA W6 118.5(9) 11_575 .
W6 O9CA W6 94.4(6) 11_575 .
P2 O9CA W6 126.7(5) . .
P2 O9CA W6 126.7(5) . 11_575
P2 O9CA Mo6 126.7(5) . .
W4 O0DA Na1 98.1(7) . .
W4 O0DA K0A 142.3(8) . 2_765
W4 O0DA K0A 113.6(11) . .
P2 O0DA W4 130.9(7) . .
P2 O0DA Na1 131.0(8) . .
P2 O0DA K0A 86.7(8) . 2_765
P2 O0DA K0A 115.5(12) . .
Na1 O0DA K0A 44.3(10) . 2_765
Na1 O0DA K0A 15.5(8) . .
K0A O0DA K0A 28.7(16) . 2_765
W7 O29 W8 150.7(7) . .
Mo O29 W8 150.7(7) . .
W6 O30 W7 160.9(7) . .
Mo6 O30 Mo 160.9(7) . .
O2 O31 W7 18(3) . .
O2 O31 Mo 18(3) . .
W7 O32 W7 119.3(10) . 11_575
O2 O32 W7 19(2) . .
O2 O32 W7 137(3) 11_575 .
O2 O32 W7 19(2) 11_575 11_575
O2 O32 W7 137(3) . 11_575
O2 O32 Mo 19(2) . .
O2 O32 Mo 137(3) 11_575 .
O2 O32 O2 155(5) 11_575 .
W7 O33 W7 147.8(10) . 12_755
W8 O35 Na1 99.1(8) . .
W8 O35 K0A 143.3(10) . 2_765
W8 O35 K0A 114.6(12) . .
P3 O35 W8 130.7(10) . .
P3 O35 Na1 130.2(11) . .
P3 O35 K0A 114.7(13) . .
P3 O35 K0A 86.0(10) . 2_765
Na1 O35 K0A 15.5(8) . .
Na1 O35 K0A 44.2(11) . 2_765
K0A O35 K0A 28.7(16) . 2_765
W9 O38 Co1 148.9(11) . .
W16 O44 Co4 152.4(19) . .
W9 O45 W14 146.1(8) . 7_645
W9 O45 W16 143.5(8) . .
W16 O45 W14 58.0(4) . 7_645
W9 O46 K1AA 110.9(6) . 13_665
W13 O46 W9 153.7(7) 7_645 .
W13 O46 K1AA 94.8(6) 7_645 13_665
W9 O47 W9 119.6(9) . 11_575
W9 O48 W10 155.2(8) . .
Mo9 O48 Mo10 155.2(8) . .
W9 O49 W9 94.3(6) 11_575 .
P4 O49 W9 122.4(7) . 11_575
P4 O49 W9 122.4(7) . .
P4 O49 P6 78.7(10) . 13_665
P6 O49 W9 121.0(7) 13_665 .
P6 O49 W9 121.0(7) 13_665 11_575
W10 O50 W10 94.5(7) 11_575 .
P4 O50 W10 121.1(7) . .
P4 O50 W10 121.1(7) . 11_575
P4B O50 Mo10 120.6(7) . .
W10 O51 W16 145.9(9) . .
Mo10 O51 W15B 143.5(8) . .
W10 O53 W10 119.3(10) . 11_575
W10 O54 W11 155.8(8) . .
Mo10 O54 Mo11 155.8(8) . .
W11 O55 W15 145.0(9) . .
Mo11 O55 W15B 146.0(8) . .
W11 O56 W11 93.7(7) . 11_575
P4B O56 Mo11 121.3(7) . .
P5 O56 W11 121.7(7) . 11_575
P5 O56 W11 121.7(7) . .
W11 O57 W11 117.7(10) . 11_575
W11 O59 W12 155.6(8) . .
Mo11 O59 Mo12 155.6(8) . .
W12 O60 Co5 169.9(12) . 4_565
W12 O60 Co5B 148.8(11) . 4_565
Co5 O60 Co5B 32.9(8) 4_565 4_565
W12 O61 W12 119.2(10) . 11_575
W12 O62 W12 94.0(7) . 11_575
P5 O62 W12 121.2(7) . .
P5 O62 W12 121.2(7) . 11_575
P5B O62 Mo12 120.4(7) . .
W12 O63 W15 143.6(8) . .
Mo12 O63 W14B 145.1(8) . .
W13 O64 W12 154.1(8) . .
Mo13 O64 Mo12 154.1(8) . .
W13 O65 Co3 171.3(11) . .
Mo13 O65 Co3 171.3(11) . .
W13 O66 W13 118.4(9) 11_575 .
W13 O66 K1AA 108.3(7) . .
W13 O66 K1AA 108.3(7) 11_575 .
Mo13 O66 K1AA 108.3(7) . .
W13 O67 W13 95.3(7) . 11_575
P5B O67 Mo13 120.7(7) . .
P6 O67 W13 121.3(7) . 11_575
P6 O67 W13 121.3(7) . .
W13 O68 W14 146.1(8) . .
Mo13 O68 W14B 144.8(8) . .
W14 O69 Na2 96.8(9) . .
W14 O69 K88 112.7(12) . .
W14 O69 K88 143.0(11) . 13_665
P6 O69 W14 130.8(14) . .
P6 O69 Na2 132.4(14) . .
P6 O69 O76 100.9(17) . 7_645
P6 O69 K88 116.4(15) . .
P6 O69 K88 86.2(11) . 13_665
Na2 O69 K88 16.0(7) . .
Na2 O69 K88 46.2(9) . 13_665
O76 O69 W14 93.2(14) 7_645 .
O76 O69 Na2 74.9(12) 7_645 .
O76 O69 K88 79.1(12) 7_645 13_665
O76 O69 K88 75.3(12) 7_645 .
K88 O69 K88 30.3(13) . 13_665
W14 O70 Co4B 150.3(18) . 7_645
W14 O71 W15 162.0(16) . .
W14 O71 Na2 94.8(9) . .
W15 O71 Na2 94.6(9) . .
W15 O73 Na2 97.5(10) . .
W15 O73 K88 142.4(11) . 13_665
W15 O73 K88 113.0(12) . .
P5 O73 W15 132.8(15) . .
P5 O73 Na2 129.6(15) . .
P5 O73 K88 84.7(12) . 13_665
P5 O73 K88 114.1(15) . .
Na2 O73 K88 45.0(9) . 13_665
Na2 O73 K88 15.5(7) . .
K88 O73 K88 29.4(13) . 13_665
W15 O74 Na2 94.0(9) . .
W16 O74 W15 160.3(16) . .
W16 O74 Na2 96.3(10) . .
W16 O76 Na2 97.7(9) . .
W16 O76 K88 142.7(11) . 13_665
W16 O76 K88 113.2(12) . .
P4 O76 W16 132.4(14) . .
P4 O76 Na2 130.0(14) . .
P4 O76 O69 99.7(17) . 7_645
P4 O76 K88 114.4(15) . .
P4 O76 K88 84.9(12) . 13_665
Na2 O76 K88 15.5(7) . .
Na2 O76 K88 45.1(9) . 13_665
O69 O76 W16 96.1(14) 7_645 .
O69 O76 Na2 70.5(12) 7_645 .
O69 O76 K88 70.3(12) 7_645 .
O69 O76 K88 73.9(12) 7_645 13_665
K88 O76 K88 29.5(13) . 13_665
O79 O79 K1AA 73.0(10) 11_575 .
W15B O82 Na2 97.5(9) . .
W15B O82 K88 113.0(12) . .
P4B O82 W15B 132.2(15) . .
P4B O82 Na2 130.2(14) . .
P4B O82 K88 114.7(15) . .
Na2 O82 K88 15.5(7) . .
Na2 O82 K88 44.9(9) . 13_665
K88 O82 K88 29.4(13) . 13_665
W14B O83 Na2 98.0(10) . .
W14B O83 K88 113.4(12) . .
P5B O83 W14B 132.8(14) . .
P5B O83 Na2 129.2(14) . .
P5B O83 K88 113.7(15) . .
Na2 O83 K88 44.6(9) . 13_665
Na2 O83 K88 15.4(7) . .
K88 O83 K88 29.2(13) . 13_665
W15B O84 K2B 112.4(14) . .
W15B O85 Na2 98.0(10) . .
W15B O85 K88 96.6(9) . .
Na2 O85 K88 9.4(4) . .
O86 O85 W15B 172(2) 7_645 .
O86 O85 Na2 76.1(15) 7_645 .
O86 O85 K88 78.4(14) 7_645 .
W14B O86 Na2 96.2(10) . .
O85 O86 W14B 170(2) 7_645 .
O85 O86 Na2 75.1(15) 7_645 .
W14B O87 W15B 161.8(17) . .
W14B O87 Na2 95.2(10) . .
W15B O87 Na2 94.1(9) . .
Li17 O3S Li17 44(7) . 7_644
K3 O1AA K3 180.0 . 9_765
Na2 K88 Na2 180.0 . 13_665
Na2 K88 O69 98.5(10) 13_665 7_645
Na2 K88 O69 98.5(10) 13_665 .
Na2 K88 O69 81.5(10) . 7_645
Na2 K88 O69 81.5(10) . .
Na2 K88 O73 80.7(9) . 7_645
Na2 K88 O73 80.7(9) . .
Na2 K88 O73 99.3(9) 13_665 7_645
Na2 K88 O73 99.3(9) 13_665 .
Na2 K88 O76 98.9(9) 13_665 7_645
Na2 K88 O76 81.1(9) . .
Na2 K88 O76 98.9(9) 13_665 .
Na2 K88 O76 81.1(9) . 7_645
Na2 K88 O82 81.0(9) . .
Na2 K88 O82 99.0(9) 13_665 .
Na2 K88 O82 99.0(9) 13_665 7_645
Na2 K88 O82 81.0(9) . 7_645
Na2 K88 O83 99.5(9) 13_665 7_645
Na2 K88 O83 80.5(9) . 7_645
Na2 K88 K88 180.000(13) . 13_665
O69 K88 O69 163.0(19) . 7_645
O69 K88 O73 104.3(8) 7_645 .
O69 K88 O73 104.3(8) . 7_645
O69 K88 O73 72.9(8) 7_645 7_645
O69 K88 O73 72.9(8) . .
O69 K88 O76 34.4(8) . 7_645
O69 K88 O76 141.2(10) . .
O69 K88 O76 34.4(8) 7_645 .
O69 K88 O76 141.2(10) 7_645 7_645
O69 K88 O82 105.8(8) 7_645 7_645
O69 K88 O82 71.4(8) . 7_645
O69 K88 O83 138.5(10) . 7_645
O69 K88 O83 37.1(7) 7_645 7_645
O73 K88 O73 161.4(19) 7_645 .
O73 K88 O82 33.3(7) 7_645 7_645
O73 K88 O82 141.8(10) . 7_645
O73 K88 O83 35.9(7) 7_645 7_645
O73 K88 O83 139.2(10) . 7_645
O76 K88 O73 106.8(8) . 7_645
O76 K88 O73 70.2(8) 7_645 7_645
O76 K88 O73 106.8(8) 7_645 .
O76 K88 O73 70.2(8) . .
O76 K88 O76 162.1(19) 7_645 .
O76 K88 O82 138.6(10) . 7_645
O76 K88 O82 37.1(7) 7_645 7_645
O76 K88 O83 105.6(8) 7_645 7_645
O76 K88 O83 71.3(8) . 7_645
K88 K88 Na2 0.000(5) 13_665 13_665
K88 K88 O69 98.5(10) 13_665 7_645
K88 K88 O69 98.5(10) 13_665 .
K88 K88 O73 99.3(9) 13_665 .
K88 K88 O73 99.3(9) 13_665 7_645
K88 K88 O76 98.9(9) 13_665 7_645
K88 K88 O76 98.9(9) 13_665 .
K88 K88 O82 99.0(9) 13_665 .
K88 K88 O82 99.0(9) 13_665 7_645
K88 K88 O83 99.5(9) 13_665 7_645
Na1 K0A Na1 178(5) . 2_765
Na1 K0A O8AA 79(3) . 12_755
Na1 K0A O8AA 79(3) . .
Na1 K0A O8AA 98.9(14) 2_765 12_755
Na1 K0A O8AA 126(3) . 2_765
Na1 K0A O8AA 51.7(9) 2_765 2_765
Na1 K0A O8AA 98.9(14) 2_765 .
Na1 K0A O0DA 81.1(15) . .
Na1 K0A O0DA 52.0(7) 2_765 2_765
Na1 K0A O0DA 128.7(13) . 2_765
Na1 K0A O0DA 52.0(7) 2_765 11_575
Na1 K0A O0DA 128.7(13) . 11_575
Na1 K0A O0DA 99.6(11) 2_765 .
Na1 K0A O0DA 81.1(15) . 12_755
Na1 K0A O0DA 99.6(11) 2_765 12_755
Na1 K0A O35 82(4) . .
Na1 K0A O35 100.1(16) 2_765 .
Na1 K0A O35 52.3(10) 2_765 2_765
Na1 K0A O35 130(4) . 2_765
Na1 K0A K0A 178(4) . 2_765
O8AA K0A O8AA 47.2(7) 12_755 2_765
O8AA K0A O8AA 69.6(10) 12_755 .
O8AA K0A O8AA 80.9(10) . 2_765
O8AA K0A O0DA 82.5(6) 12_755 2_765
O8AA K0A O0DA 82.5(6) . 11_575
O8AA K0A O0DA 136.2(14) . 2_765
O8AA K0A O0DA 136.2(14) 12_755 11_575
O8AA K0A O35 137.1(11) . 2_765
O8AA K0A O35 137.1(11) 12_755 2_765
O0DA K0A O8AA 71.5(5) . .
O0DA K0A O8AA 71.5(5) 12_755 12_755
O0DA K0A O8AA 138.9(14) 12_755 .
O0DA K0A O8AA 138.9(14) . 12_755
O0DA K0A O8AA 82.5(6) 12_755 2_765
O0DA K0A O8AA 136.5(12) . 2_765
O0DA K0A O8AA 96.8(11) 11_575 2_765
O0DA K0A O8AA 55.7(6) 2_765 2_765
O0DA K0A O0DA 136.8(15) 12_755 11_575
O0DA K0A O0DA 47.7(6) 12_755 2_765
O0DA K0A O0DA 139.5(16) 12_755 .
O0DA K0A O0DA 96.7(12) 2_765 11_575
O0DA K0A O0DA 136.8(15) . 2_765
O0DA K0A O0DA 47.7(6) . 11_575
O0DA K0A O35 55.0(7) 11_575 2_765
O0DA K0A O35 55.0(7) 2_765 2_765
O0DA K0A O35 70.9(8) 12_755 .
O0DA K0A O35 82.1(9) . 2_765
O0DA K0A O35 70.9(8) . .
O0DA K0A O35 82.1(9) 12_755 2_765
O35 K0A O8AA 140.1(10) . 12_755
O35 K0A O8AA 137.5(13) . 2_765
O35 K0A O8AA 140.1(10) . .
O35 K0A O8AA 97.2(11) 2_765 2_765
O35 K0A O0DA 82.2(9) . 2_765
O35 K0A O0DA 82.2(9) . 11_575
O35 K0A O35 47.8(9) . 2_765
K0A K0A Na1 0.5(11) 2_765 2_765
K0A K0A O8AA 52.2(7) 2_765 2_765
K0A K0A O8AA 99.3(10) 2_765 12_755
K0A K0A O8AA 99.3(10) 2_765 .
K0A K0A O0DA 99.5(10) 2_765 .
K0A K0A O0DA 51.8(6) 2_765 2_765
K0A K0A O0DA 99.5(10) 2_765 12_755
K0A K0A O0DA 51.8(6) 2_765 11_575
K0A K0A O35 51.7(8) 2_765 2_765
K0A K0A O35 99.6(11) 2_765 .
Co3 O28 Co3 81(3) . 4_565
W7 O2 O31 122(8) . .
W7 O2 O32 100(7) . .
Mo O2 O31 122(8) . .
Mo O2 O32 100(7) . .
O31 O2 O32 133(5) . .
Co3 O15 Co3 72(2) 4_565 .
Co3 O15 K3 127(3) . .
Co3 O15 K3 134(3) 4_565 .
O15 O15 Co3 67(4) 4_565 .
O15 O15 Co3 78(4) 4_565 4_565
O15 O15 K3 75.5(13) 4_565 .
Li17 Li17 O3S 68(4) 7_644 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 K1AA 4.060(15) .
W1 K3 3.812(3) .
W1 O0AA 1.920(10) .
W1 O2AA 1.930(3) .
W1 O3AA 1.711(13) .
W1 O5AA 1.975(14) .
W1 O6AA 1.884(13) .
W3 K1AA 3.991(16) .
W3 O5AA 1.939(15) .
W3 O0BA 2.252(11) .
W3 O2BA 1.893(12) .
W3 O5BA 1.921(9) .
W3 O6BA 1.714(13) .
W3 O7BA 1.931(15) .
W5 O7BA 1.920(15) .
W5 O8BA 1.927(9) .
W5 O9BA 2.263(11) .
W5 O1CA 1.721(13) .
W5 O2CA 1.951(15) .
W5 O3CA 1.873(12) .
W6 O2CA 1.950(15) .
W6 O6CA 1.877(12) .
W6 O7CA 1.719(13) .
W6 O8CA 1.921(9) .
W6 O9CA 2.250(11) .
W6 O30 1.911(15) .
W7 O1BA 2.263(11) 2_765
W7 O29 1.884(13) .
W7 O30 1.947(15) .
W7 O31 1.739(13) .
W7 O32 1.916(10) .
W7 O33 1.960(5) .
W7 O2 0.62(6) .
Mo1 K1AA 4.060(15) .
Mo1 K3 3.812(3) .
Mo1 O0AA 1.920(10) .
Mo1 O2AA 1.930(3) .
Mo1 O3AA 1.711(13) .
Mo1 O5AA 1.975(14) .
Mo1 O6AA 1.884(13) .
Mo3 K1AA 3.991(16) .
Mo3 O5AA 1.939(15) .
Mo3 O0BA 2.252(11) .
Mo3 O2BA 1.893(12) .
Mo3 O5BA 1.921(9) .
Mo3 O6BA 1.714(13) .
Mo3 O7BA 1.931(15) .
Mo5 O7BA 1.920(15) .
Mo5 O8BA 1.927(9) .
Mo5 O9BA 2.263(11) .
Mo5 O1CA 1.721(13) .
Mo5 O2CA 1.951(15) .
Mo5 O3CA 1.873(12) .
Mo6 O2CA 1.950(15) .
Mo6 O6CA 1.877(12) .
Mo6 O7CA 1.719(13) .
Mo6 O8CA 1.921(9) .
Mo6 O9CA 2.250(11) .
Mo6 O30 1.911(15) .
Mo O1BA 2.263(11) 2_765
Mo O29 1.884(13) .
Mo O30 1.947(15) .
Mo O31 1.739(13) .
Mo O32 1.916(10) .
Mo O33 1.960(5) .
Mo O2 0.62(6) .
W4 Na1 3.661(13) .
W4 O4BA 1.887(12) .
W4 O3CA 1.949(12) .
W4 O4CA 1.724(12) .
W4 O5CA 1.881(12) .
W4 O6CA 1.915(12) .
W4 O0DA 2.187(11) .
W4 K0A 4.06(3) .
W2 K3 3.698(4) .
W2 Na1 3.665(18) .
W2 O6AA 1.923(12) .
W2 O8AA 2.190(11) .
W2 O9AA 1.897(3) .
W2 O2BA 1.908(12) .
W2 O3BA 1.719(12) .
W2 O4BA 1.908(12) .
W2 K0A 4.09(4) .
W8 Na1 3.73(2) .
W8 O5CA 1.911(12) .
W8 O5CA 1.911(12) 12_755
W8 O29 1.902(12) 12_755
W8 O29 1.902(12) .
W8 O34 1.727(17) .
W8 O35 2.225(16) .
W8 K0A 4.12(4) .
W9 O38 1.715(14) .
W9 O45 1.873(13) .
W9 O46 1.969(17) .
W9 O47 1.905(9) .
W9 O48 1.918(17) .
W9 O49 2.246(12) .
W10 O48 1.958(17) .
W10 O50 2.246(12) .
W10 O51 1.864(13) .
W10 O52 1.735(14) .
W10 O53 1.912(9) .
W10 O54 1.929(17) .
W11 O54 1.934(17) .
W11 O55 1.869(13) .
W11 O56 2.264(12) .
W11 O57 1.931(10) .
W11 O58 1.698(14) .
W11 O59 1.905(17) .
W12 O59 1.964(17) .
W12 O60 1.712(14) .
W12 O61 1.914(10) .
W12 O62 2.257(12) .
W12 O63 1.866(13) .
W12 O64 1.958(17) .
W13 K1AA 3.938(16) .
W13 O46 1.906(16) 7_645
W13 O64 1.916(17) .
W13 O65 1.696(14) .
W13 O66 1.930(9) .
W13 O67 2.242(12) .
W13 O68 1.846(13) .
Mo9 O38 1.715(14) .
Mo9 O45 1.873(13) .
Mo9 O46 1.969(17) .
Mo9 O47 1.905(9) .
Mo9 O48 1.918(17) .
Mo9 O49 2.246(12) .
Mo10 O48 1.958(17) .
Mo10 O50 2.246(12) .
Mo10 O51 1.864(13) .
Mo10 O52 1.735(14) .
Mo10 O53 1.912(9) .
Mo10 O54 1.929(17) .
Mo11 O54 1.934(17) .
Mo11 O55 1.869(13) .
Mo11 O56 2.264(12) .
Mo11 O57 1.931(10) .
Mo11 O58 1.698(14) .
Mo11 O59 1.905(17) .
Mo12 O59 1.964(17) .
Mo12 O60 1.712(14) .
Mo12 O61 1.914(10) .
Mo12 O62 2.257(12) .
Mo12 O63 1.866(13) .
Mo12 O64 1.958(17) .
Mo13 K1AA 3.938(16) .
Mo13 O46 1.906(16) 7_645
Mo13 O64 1.916(17) .
Mo13 O65 1.696(14) .
Mo13 O66 1.930(9) .
Mo13 O67 2.242(12) .
Mo13 O68 1.846(13) .
W14 W16 1.927(2) 7_645
W14 Na2 3.611(11) .
W14 O45 1.998(13) 7_645
W14 O68 2.030(13) .
W14 O69 2.21(2) .
W14 O70 1.71(2) .
W14 O71 1.85(2) .
W14 K88 4.02(2) .
W14B Na2 3.671(10) .
W14B O63 1.982(13) .
W14B O68 1.989(13) .
W14B O72 1.71(3) .
W14B O83 2.16(2) .
W14B O86 1.91(3) .
W14B O87 1.86(2) .
W14B K88 4.08(2) .
W15 Na2 3.642(10) .
W15 O55 1.991(14) .
W15 O63 2.023(13) .
W15 O71 1.92(2) .
W15 O73 2.16(2) .
W15 O74 1.92(2) .
W15 O75 1.73(3) .
W15 K88 4.05(2) .
W15B K2B 3.997(15) .
W15B Na2 3.674(10) .
W15B O51 2.017(13) .
W15B O55 1.961(13) .
W15B O82 2.19(2) .
W15B O84 1.67(3) .
W15B O85 1.85(2) .
W15B O87 1.92(2) .
W15B K88 4.08(2) .
W16 Na2 3.670(10) .
W16 O44 1.70(3) .
W16 O45 1.978(13) .
W16 O51 1.985(14) .
W16 O74 1.86(2) .
W16 O76 2.19(2) .
W16 K88 4.08(2) .
Co1 O4CA 2.070(13) 6_655
Co1 O36 2.13(2) .
Co1 O37 2.31(4) .
Co1 O38 2.042(17) .
Co1 O39 2.13(5) .
Co1 O40 2.19(6) .
Co0A K2B 3.72(4) .
Co0A O39 1.27(5) .
Co3 Co3 2.54(3) 4_565
Co3 O6BA 2.10(2) .
Co3 O65 2.10(2) .
Co3 O28 2.16(7) 4_565
Co3 O28 1.74(7) .
Co3 O15 2.22(7) .
Co3 O15 2.09(6) 4_565
Co4 O4AA 1.90(7) .
Co4 O1CA 1.91(3) 6_655
Co4 O43 1.60(8) .
Co4 O44 2.01(4) .
Co4B O1CA 2.02(2) 6_655
Co4B O43 2.14(9) .
Co4B O70 1.95(3) 7_645
Co4B O4DA 1.95(7) .
Co5 O60 1.96(2) 4_565
Co5 O72 1.96(3) .
Co5 O77 1.66(5) .
Co5B O60 2.02(2) 4_565
Co5B O75 2.03(3) .
Co5B O77 1.78(5) .
K1AA O0AA 3.21(3) .
K1AA O5AA 3.046(19) .
K1AA O5AA 3.046(19) 11_575
K1AA O5BA 3.08(3) .
K1AA O46 3.291(19) 13_665
K1AA O46 3.291(19) 7_645
K1AA O66 2.88(3) .
K1AA O79 2.87(4) .
K1AA O79 2.87(4) 11_575
K1AA O80 2.85(2) .
K1AA O80 2.85(2) 11_575
K0AA K2B 3.069(18) 4_565
K0AA K2B 3.069(18) .
K0AA O0CA 2.03(7) 4_565
K0AA O0CA 2.03(7) .
K0AA O41 3.22(4) .
K0AA O41 3.22(4) 4_565
K0AA O42 2.03(4) 4_565
K0AA O42 2.03(4) .
K0AA O81 2.07(7) .
K0AA O81 2.07(7) 4_565
K0AA O1DA 3.32(4) .
K0AA O1DA 3.32(4) 4_565
K2B K2B 3.98(4) 4_565
K2B O0CA 1.44(7) .
K2B O84 3.05(3) .
K3 O3AA 3.078(16) 4_565
K3 O3AA 3.078(16) .
K3 O6AA 3.004(14) .
K3 O6AA 3.004(14) 4_565
K3 O3BA 2.738(14) .
K3 O3BA 2.738(14) 4_565
K3 O1AA 2.579(19) .
K3 O15 2.62(7) .
K3 O15 2.62(7) 4_565
P1 O8AA 1.513(12) .
P1 O8AA 1.513(12) 11_575
P1 O0BA 1.556(17) .
P1 K0A 3.60(3) 2_765
P1 K0A 3.60(3) .
P2 O9BA 1.529(17) .
P2 O9CA 1.546(18) .
P2 O0DA 1.526(12) .
P2 O0DA 1.526(12) 11_575
P2 K0A 3.591(17) 2_765
P2 K0A 3.591(17) .
P3 O1BA 1.550(18) 2_765
P3 O1BA 1.550(18) .
P3 O35 1.520(17) 2_765
P3 O35 1.520(17) .
P3 K0A 3.57(4) 2_765
P3 K0A 3.57(4) .
P4 P6 2.11(2) 13_665
P4 O49 1.62(2) .
P4 O50 1.70(2) .
P4 O76 1.51(2) 11_575
P4 O76 1.51(2) .
P4 K88 3.582(15) 13_665
P4 K88 3.582(15) .
P4B O50 1.69(2) .
P4B O56 1.62(2) .
P4B O82 1.52(2) 11_575
P4B O82 1.52(2) .
P4B K88 3.605(16) 13_665
P4B K88 3.605(16) .
P5 O56 1.63(2) .
P5 O62 1.67(2) .
P5 O73 1.53(2) .
P5 O73 1.53(2) 11_575
P5 K88 3.592(16) 13_665
P5 K88 3.592(16) .
P5B O62 1.63(2) .
P5B O67 1.67(2) .
P5B O83 1.54(2) .
P5B O83 1.54(2) 11_575
P5B K88 3.618(15) .
P5B K88 3.618(15) 13_665
P6 O49 1.70(2) 13_665
P6 O67 1.71(2) .
P6 O69 1.50(2) 11_575
P6 O69 1.50(2) .
P6 K88 3.544(15) .
P6 K88 3.544(15) 13_665
Na1 O8AA 2.654(19) .
Na1 O8AA 2.654(19) 12_755
Na1 O9AA 3.00(3) .
Na1 O4BA 2.93(2) .
Na1 O4BA 2.93(2) 12_755
Na1 O5CA 3.01(2) .
Na1 O5CA 3.01(2) 12_755
Na1 O0DA 2.644(13) 12_755
Na1 O0DA 2.644(13) .
Na1 O35 2.66(3) .
Na1 K0A 0.72(4) .
Na1 K0A 2.34(6) 2_765
Na2 O69 2.60(2) .
Na2 O69 2.60(2) 7_645
Na2 O73 2.67(2) .
Na2 O73 2.67(2) 7_645
Na2 O76 2.67(2) 7_645
Na2 O76 2.67(2) .
Na2 O82 2.68(2) .
Na2 O82 2.68(2) 7_645
Na2 O83 2.69(2) 7_645
Na2 O83 2.69(2) .
Na2 K88 2.41(5) 13_665
Na2 K88 0.72(3) .
O8AA K0A 3.36(4) 2_765
O8AA K0A 2.69(3) .
O0DA K0A 2.659(18) .
O0DA K0A 3.34(3) 2_765
O31 O2 1.33(6) .
O32 O2 1.71(6) .
O32 O2 1.71(6) 11_575
O35 K0A 2.66(4) .
O35 K0A 3.34(4) 2_765
O69 O76 1.57(3) 7_645
O69 K88 2.61(2) .
O69 K88 3.31(3) 13_665
O73 K88 2.68(3) .
O73 K88 3.39(3) 13_665
O76 K88 2.68(2) .
O76 K88 3.39(3) 13_665
O79 O79 1.68(10) 11_575
O82 K88 2.69(2) .
O82 K88 3.40(3) 13_665
O83 K88 3.42(3) 13_665
O83 K88 2.71(2) .
O85 O86 1.46(4) 7_645
O85 K88 3.43(4) .
O3S Li17 1.24(9) .
O3S Li17 1.24(9) 7_644
O6S O5S 0.53(3) .
K88 K88 1.69(7) 13_665
K0A K0A 1.63(9) 2_765
O15 O15 1.31(13) 4_565
Li17 Li17 0.92(16) 7_644
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 0.361 0.250 0.250 1987 622 ' '
2 0.356 0.750 -0.250 1987 622 ' '
3 0.171 0.250 0.079 69 31 ' '
4 0.829 0.250 0.079 69 31 ' '
5 0.329 0.250 0.420 69 32 ' '
6 0.671 0.250 0.420 69 32 ' '
7 0.329 0.750 0.579 69 31 ' '
8 0.671 0.750 0.579 69 31 ' '
9 0.171 0.750 0.920 69 32 ' '
10 0.829 0.750 0.920 69 32 ' '
