#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:23:47 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179576 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/41/4504172.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_4504172
loop_
_publ_author_name
'Zhang, Zhiming'
'Wang, Enbo'
'Qi, Yanfei'
'Li, Yangguang'
'Mao, Baodong'
'Su, Zhongmin'
_publ_section_title
;
 Synthesis, Characterization, and Crystal Structures of
 Double-Cubane-Substituted and Asymmetric Penta-Ni-Substituted Dimeric
 Polyoxometalates
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1305
_journal_paper_doi               10.1021/cg060868m
_journal_volume                  7
_journal_year                    2007
_chemical_formula_sum            'H60 K12 Ni7 O95 Si2 W16'
_chemical_formula_weight         5458.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.62(3)
_cell_angle_beta                 91.67(3)
_cell_angle_gamma                102.37(3)
_cell_formula_units_Z            1
_cell_length_a                   11.442(2)
_cell_length_b                   11.905(2)
_cell_length_c                   17.169(3)
_cell_measurement_reflns_used    16589
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3.07
_cell_volume                     2166.1(8)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku RAXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1459
_diffrn_reflns_av_sigmaI/netI    0.1971
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16589
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    23.357
_exptl_absorpt_correction_T_max  0.311
_exptl_absorpt_correction_T_min  0.153
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    4.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2456
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.147
_refine_diff_density_min         -3.000
_refine_diff_density_rms         0.688
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         7559
_refine_ls_number_restraints     204
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1562
_refine_ls_R_factor_gt           0.0865
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1921
_refine_ls_wR_factor_ref         0.2339
_reflns_number_gt                4302
_reflns_number_total             7559
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg060868msi20070205_100709.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4504172
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0.98804(14) 0.77659(14) 0.09117(9) 0.0125(4) Uani 1 1 d .
W2 W 0.94493(14) 1.06094(13) 0.17556(9) 0.0133(4) Uani 1 1 d .
W3 W 1.26608(14) 1.17358(14) 0.25631(9) 0.0140(4) Uani 1 1 d .
W4 W 1.24285(15) 0.71332(14) 0.31803(9) 0.0150(4) Uani 1 1 d .
W5 W 1.31334(14) 0.89036(14) 0.17395(9) 0.0134(4) Uani 1 1 d .
W6 W 0.95507(15) 0.61164(14) 0.24448(9) 0.0137(4) Uani 1 1 d .
W7 W 0.77275(14) 0.82367(14) 0.21601(9) 0.0133(4) Uani 1 1 d .
W8 W 1.38478(15) 1.04276(15) 0.37466(9) 0.0156(4) Uani 1 1 d .
Si1 Si 1.0773(9) 0.9309(9) 0.3051(6) 0.010(2) Uani 1 1 d U
Ni1 Ni 1.0368(5) 0.7577(4) 0.4310(3) 0.0160(11) Uani 1 1 d .
Ni2 Ni 1.1569(5) 1.1937(4) 0.4489(3) 0.0161(11) Uani 1 1 d .
Ni3 Ni 0.8898(5) 1.0957(4) 0.3835(3) 0.0162(11) Uani 1 1 d .
Ni4 Ni 1.0000 1.0000 0.5000 0.0181(16) Uani 1 2 d S
O1 O 1.158(3) 0.843(3) 0.1097(16) 0.024(7) Uani 1 1 d .
O2 O 1.434(3) 0.962(2) 0.2634(16) 0.022(6) Uani 1 1 d U
O3 O 1.009(2) 0.678(2) 0.1524(14) 0.010(5) Uani 1 1 d U
O4 O 0.621(2) 0.755(2) 0.1955(15) 0.016(6) Uani 1 1 d U
O5 O 0.981(2) 0.681(2) -0.0107(14) 0.011(5) Uani 1 1 d U
O6 O 1.402(2) 1.171(2) 0.3295(15) 0.015(6) Uani 1 1 d U
O7 O 0.787(2) 0.951(2) 0.1656(15) 0.017(6) Uani 1 1 d U
O8 O 0.897(2) 1.152(2) 0.1238(16) 0.019(6) Uani 1 1 d U
O9 O 1.267(2) 0.763(2) 0.2168(14) 0.009(5) Uani 1 1 d U
O10 O 0.940(2) 0.603(2) 0.3483(13) 0.007(5) Uani 1 1 d U
O11 O 0.9814(19) 0.9064(19) 0.2243(12) 0.001(5) Uiso 1 1 d .
O12 O 1.397(2) 0.832(2) 0.0957(15) 0.018(6) Uani 1 1 d .
O13 O 0.925(3) 1.139(2) 0.2804(16) 0.023(7) Uani 1 1 d U
O14 O 1.191(2) 1.227(2) 0.3444(16) 0.021(6) Uani 1 1 d U
O15 O 1.043(2) 1.026(2) 0.3853(13) 0.006(5) Uiso 1 1 d .
O16 O 0.884(2) 0.465(2) 0.1858(15) 0.018(6) Uani 1 1 d U
O17 O 1.212(2) 0.988(2) 0.2842(14) 0.011(5) Uani 1 1 d U
O18 O 0.833(2) 0.702(2) 0.2464(15) 0.015(6) Uani 1 1 d U
O19 O 0.785(2) 0.926(2) 0.3168(14) 0.009(5) Uiso 1 1 d .
O20 O 1.297(2) 1.104(2) 0.4457(15) 0.016(6) Uani 1 1 d U
O21 O 1.522(2) 1.081(2) 0.4321(15) 0.014(6) Uani 1 1 d U
O22 O 1.075(2) 0.799(2) 0.3177(13) 0.005(5) Uiso 1 1 d .
O23 O 1.325(2) 1.300(2) 0.2291(16) 0.020(6) Uani 1 1 d U
O24 O 0.9661(19) 0.9195(19) 0.0760(12) 0.000(4) Uiso 1 1 d .
O25 O 0.826(2) 0.736(2) 0.1042(15) 0.014(6) Uani 1 1 d U
O26 O 1.329(2) 0.881(3) 0.3775(17) 0.024(7) Uani 1 1 d .
O27 O 1.358(2) 0.638(2) 0.3071(15) 0.017(6) Uani 1 1 d U
O28 O 1.192(3) 0.694(3) 0.4110(17) 0.024(7) Uani 1 1 d U
O29 O 1.114(2) 1.118(2) 0.1851(14) 0.015(6) Uani 1 1 d U
O30 O 0.862(2) 1.080(2) 0.4964(14) 0.010(5) Uani 1 1 d U
O31 O 1.262(3) 1.372(3) 0.5068(16) 0.023(7) Uani 1 1 d U
O32 O 1.116(3) 0.586(2) 0.2466(16) 0.023(7) Uani 1 1 d .
O33 O 0.739(3) 1.171(3) 0.386(2) 0.042(9) Uani 1 1 d .
O34 O 0.890(3) 0.832(2) 0.4446(16) 0.024(7) Uani 1 1 d U
O35 O 1.325(2) 1.055(2) 0.1713(14) 0.010(5) Uani 1 1 d U
O36 O 1.007(3) 1.259(3) 0.4572(17) 0.039(9) Uani 1 1 d .
K1 K 1.1203(9) 0.3583(8) 0.1623(5) 0.021(2) Uani 1 1 d .
K2 K 1.1903(9) 1.0341(9) 0.0302(5) 0.026(2) Uani 1 1 d .
K3 K 0.7780(9) 0.3059(9) 0.0448(6) 0.029(2) Uani 1 1 d .
K4 K 0.4143(10) 0.5951(9) 0.1136(7) 0.037(3) Uani 1 1 d .
K5 K 1.5684(10) 0.8381(9) 0.3880(7) 0.037(3) Uani 1 1 d .
K6 K 0.8186(10) 0.3500(9) 0.3076(7) 0.037(3) Uani 1 1 d .
OW1 O 0.175(3) 0.551(2) 0.0630(18) 0.039(9) Uani 1 1 d .
OW2 O 0.639(2) 0.488(2) 0.0669(15) 0.018(6) Uani 1 1 d U
OW3 O 0.632(3) 1.098(3) 0.2297(18) 0.027(7) Uani 1 1 d U
OW4 O 1.351(3) 1.374(3) 0.6586(19) 0.039(9) Uani 1 1 d .
OW5 O 1.063(3) 1.392(3) 0.324(2) 0.045(9) Uani 1 1 d U
OW6 O 0.710(3) 0.680(3) -0.0521(19) 0.045(10) Uani 1 1 d .
OW7 O 1.405(4) 1.525(4) 0.429(2) 0.002(9) Uani 0.50 1 d PU
OW8 O 1.124(3) 1.543(3) 0.520(2) 0.051(11) Uani 1 1 d .
OW9 O 1.476(3) 1.540(3) 0.7967(17) 0.029(7) Uani 1 1 d U
OW10 O 1.587(3) 1.370(3) 0.379(2) 0.045(9) Uani 1 1 d U
OW11 O 1.421(5) 1.138(5) -0.001(3) 0.097(17) Uani 1 1 d U
OW12 O 0.603(5) 1.240(5) 0.139(3) 0.096(17) Uani 1 1 d U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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'
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
O5 W1 O3 102.8(11) . .
O5 W1 O25 97.6(11) . .
O3 W1 O25 86.5(11) . .
O5 W1 O24 102.3(10) . .
O3 W1 O24 154.9(9) . .
O25 W1 O24 89.0(11) . .
O5 W1 O1 98.3(12) . .
O3 W1 O1 88.1(11) . .
O25 W1 O1 164.0(11) . .
O24 W1 O1 89.6(11) . .
O5 W1 O11 175.3(10) . .
O3 W1 O11 79.7(9) . .
O25 W1 O11 78.6(9) . .
O24 W1 O11 75.1(8) . .
O1 W1 O11 85.6(10) . .
O5 W1 K3 47.1(8) . 2_765
O3 W1 K3 94.3(8) . 2_765
O25 W1 K3 144.0(7) . 2_765
O24 W1 K3 103.7(7) . 2_765
O1 W1 K3 51.5(8) . 2_765
O11 W1 K3 137.0(5) . 2_765
O5 W1 K2 88.6(8) . .
O3 W1 K2 136.2(7) . .
O25 W1 K2 134.3(8) . .
O24 W1 K2 45.7(7) . .
O1 W1 K2 48.3(9) . .
O11 W1 K2 92.1(6) . .
K3 W1 K2 63.1(2) 2_765 .
O8 W2 O13 101.4(12) . .
O8 W2 O29 101.3(12) . .
O13 W2 O29 96.6(12) . .
O8 W2 O7 96.0(12) . .
O13 W2 O7 89.2(12) . .
O29 W2 O7 160.3(11) . .
O8 W2 O24 99.6(10) . .
O13 W2 O24 157.8(11) . .
O29 W2 O24 86.5(9) . .
O7 W2 O24 81.3(10) . .
O8 W2 O11 168.2(9) . .
O13 W2 O11 86.3(10) . .
O29 W2 O11 86.5(10) . .
O7 W2 O11 75.0(10) . .
O24 W2 O11 71.9(8) . .
O8 W2 K2 53.1(8) . 2_775
O13 W2 K2 143.0(9) . 2_775
O29 W2 K2 113.2(7) . 2_775
O7 W2 K2 70.2(7) . 2_775
O24 W2 K2 51.0(6) . 2_775
O11 W2 K2 115.8(5) . 2_775
O8 W2 K1 52.8(9) . 1_565
O13 W2 K1 88.2(9) . 1_565
O29 W2 K1 52.1(8) . 1_565
O7 W2 K1 147.3(8) . 1_565
O24 W2 K1 110.6(6) . 1_565
O11 W2 K1 137.3(5) . 1_565
K2 W2 K1 93.2(2) 2_775 1_565
O8 W2 K2 86.3(9) . .
O13 W2 K2 140.5(9) . .
O29 W2 K2 44.0(7) . .
O7 W2 K2 129.0(7) . .
O24 W2 K2 48.3(6) . .
O11 W2 K2 93.5(6) . .
K2 W2 K2 71.1(3) 2_775 .
K1 W2 K2 65.6(2) 1_565 .
O8 W2 K6 61.5(9) . 1_565
O13 W2 K6 40.0(9) . 1_565
O29 W2 K6 105.5(8) . 1_565
O7 W2 K6 91.0(8) . 1_565
O24 W2 K6 158.9(6) . 1_565
O11 W2 K6 125.2(5) . 1_565
K2 W2 K6 107.9(2) 2_775 1_565
K1 W2 K6 66.8(2) 1_565 1_565
K2 W2 K6 132.2(2) . 1_565
O23 W3 O14 104.9(13) . .
O23 W3 O35 98.3(12) . .
O14 W3 O35 156.8(12) . .
O23 W3 O29 98.4(11) . .
O14 W3 O29 91.2(11) . .
O35 W3 O29 86.3(10) . .
O23 W3 O6 101.0(11) . .
O14 W3 O6 88.9(12) . .
O35 W3 O6 85.7(10) . .
O29 W3 O6 160.0(10) . .
O23 W3 O17 170.5(12) . .
O14 W3 O17 83.4(11) . .
O35 W3 O17 73.4(9) . .
O29 W3 O17 85.9(9) . .
O6 W3 O17 74.2(9) . .
O23 W3 K1 48.8(9) . 1_565
O14 W3 K1 86.8(9) . 1_565
O35 W3 K1 109.8(7) . 1_565
O29 W3 K1 53.4(8) . 1_565
O6 W3 K1 146.6(7) . 1_565
O17 W3 K1 137.9(6) . 1_565
O23 W3 K2 82.4(9) . .
O14 W3 K2 138.1(9) . .
O35 W3 K2 45.9(7) . .
O29 W3 K2 47.0(8) . .
O6 W3 K2 130.9(8) . .
O17 W3 K2 94.5(6) . .
K1 W3 K2 66.9(2) 1_565 .
O27 W4 O28 100.2(13) . .
O27 W4 O32 99.5(12) . .
O28 W4 O32 95.4(12) . .
O27 W4 O26 101.7(12) . .
O28 W4 O26 90.6(12) . .
O32 W4 O26 156.6(13) . .
O27 W4 O9 95.3(11) . .
O28 W4 O9 164.4(12) . .
O32 W4 O9 83.0(10) . .
O26 W4 O9 85.1(11) . .
O27 W4 O22 173.1(9) . .
O28 W4 O22 83.3(11) . .
O32 W4 O22 74.2(10) . .
O26 W4 O22 84.1(10) . .
O9 W4 O22 81.4(9) . .
O27 W4 K5 51.2(8) . .
O28 W4 K5 98.8(9) . .
O32 W4 K5 149.2(9) . .
O26 W4 K5 50.6(9) . .
O9 W4 K5 90.1(7) . .
O22 W4 K5 134.5(5) . .
O27 W4 K4 51.6(9) . 1_655
O28 W4 K4 148.5(10) . 1_655
O32 W4 K4 78.5(8) . 1_655
O26 W4 K4 107.3(8) . 1_655
O9 W4 K4 46.4(7) . 1_655
O22 W4 K4 123.3(5) . 1_655
K5 W4 K4 75.1(2) . 1_655
O12 W5 O9 102.7(12) . .
O12 W5 O2 100.9(12) . .
O9 W5 O2 87.4(11) . .
O12 W5 O1 98.3(12) . .
O9 W5 O1 90.2(11) . .
O2 W5 O1 160.7(12) . .
O12 W5 O35 103.1(11) . .
O9 W5 O35 154.1(10) . .
O2 W5 O35 85.7(11) . .
O1 W5 O35 88.2(11) . .
O12 W5 O17 174.8(10) . .
O9 W5 O17 81.3(9) . .
O2 W5 O17 75.6(10) . .
O1 W5 O17 85.1(10) . .
O35 W5 O17 72.8(9) . .
O12 W5 K3 48.5(8) . 2_765
O9 W5 K3 94.1(7) . 2_765
O2 W5 K3 149.0(9) . 2_765
O1 W5 K3 50.3(9) . 2_765
O35 W5 K3 104.5(7) . 2_765
O17 W5 K3 135.3(6) . 2_765
O12 W5 K4 49.4(9) . 1_655
O9 W5 K4 53.6(8) . 1_655
O2 W5 K4 92.2(9) . 1_655
O1 W5 K4 101.7(9) . 1_655
O35 W5 K4 151.6(8) . 1_655
O17 W5 K4 134.0(6) . 1_655
K3 W5 K4 64.8(2) 2_765 1_655
O12 W5 K2 86.6(9) . .
O9 W5 K2 140.3(7) . .
O2 W5 K2 129.2(9) . .
O1 W5 K2 50.2(9) . .
O35 W5 K2 44.1(7) . .
O17 W5 K2 92.5(6) . .
K3 W5 K2 63.3(2) 2_765 .
K4 W5 K2 126.8(2) 1_655 .
O16 W6 O10 101.1(11) . .
O16 W6 O32 96.3(12) . .
O10 W6 O32 91.9(11) . .
O16 W6 O18 104.0(11) . .
O10 W6 O18 95.0(11) . .
O32 W6 O18 156.8(11) . .
O16 W6 O3 98.6(11) . .
O10 W6 O3 160.0(10) . .
O32 W6 O3 82.7(11) . .
O18 W6 O3 83.3(10) . .
O16 W6 O22 171.7(11) . .
O10 W6 O22 81.1(9) . .
O32 W6 O22 75.6(10) . .
O18 W6 O22 83.7(9) . .
O3 W6 O22 78.9(8) . .
O16 W6 K6 49.8(9) . .
O10 W6 K6 51.3(7) . .
O32 W6 K6 95.4(8) . .
O18 W6 K6 106.2(8) . .
O3 W6 K6 148.1(7) . .
O22 W6 K6 131.6(6) . .
O16 W6 K1 56.1(9) . .
O10 W6 K1 99.2(8) . .
O32 W6 K1 40.2(8) . .
O18 W6 K1 157.4(7) . .
O3 W6 K1 89.1(7) . .
O22 W6 K1 115.8(6) . .
K6 W6 K1 70.4(2) . .
O4 W7 O19 103.8(11) . .
O4 W7 O18 100.4(12) . .
O19 W7 O18 96.0(11) . .
O4 W7 O7 102.2(12) . .
O19 W7 O7 93.4(10) . .
O18 W7 O7 152.6(11) . .
O4 W7 O25 97.7(11) . .
O19 W7 O25 158.5(10) . .
O18 W7 O25 81.0(10) . .
O7 W7 O25 80.9(10) . .
O4 W7 O11 172.1(10) . .
O19 W7 O11 83.8(9) . .
O18 W7 O11 80.6(9) . .
O7 W7 O11 74.9(9) . .
O25 W7 O11 74.6(8) . .
O4 W7 K5 58.8(8) . 1_455
O19 W7 K5 47.9(8) . 1_455
O18 W7 K5 88.5(8) . 1_455
O7 W7 K5 116.4(8) . 1_455
O25 W7 K5 152.2(7) . 1_455
O11 W7 K5 129.1(5) . 1_455
O20 W8 O21 102.0(12) . .
O20 W8 O6 92.6(12) . .
O21 W8 O6 101.0(12) . .
O20 W8 O26 95.4(12) . .
O21 W8 O26 99.1(12) . .
O6 W8 O26 156.3(11) . .
O20 W8 O2 158.7(12) . .
O21 W8 O2 99.0(12) . .
O6 W8 O2 80.2(11) . .
O26 W8 O2 84.4(11) . .
O20 W8 O17 84.2(10) . .
O21 W8 O17 173.5(10) . .
O6 W8 O17 76.6(10) . .
O26 W8 O17 82.1(11) . .
O2 W8 O17 74.6(10) . .
O20 W8 K5 127.2(9) . .
O21 W8 K5 53.7(9) . .
O6 W8 K5 134.0(9) . .
O26 W8 K5 53.5(9) . .
O2 W8 K5 69.1(9) . .
O17 W8 K5 123.8(6) . .
O20 W8 K5 48.3(9) . 2_876
O21 W8 K5 55.5(8) . 2_876
O6 W8 K5 111.5(7) . 2_876
O26 W8 K5 90.2(9) . 2_876
O2 W8 K5 152.8(9) . 2_876
O17 W8 K5 131.0(6) . 2_876
K5 W8 K5 86.3(2) . 2_876
O15 Si1 O17 109.4(13) . .
O15 Si1 O22 112.2(13) . .
O17 Si1 O22 109.2(14) . .
O15 Si1 O11 110.5(13) . .
O17 Si1 O11 107.8(13) . .
O22 Si1 O11 107.5(12) . .
O10 Ni1 O30 173.8(10) . 2_776
O10 Ni1 O34 91.6(10) . .
O30 Ni1 O34 88.4(10) 2_776 .
O10 Ni1 O36 104.2(11) . 2_776
O30 Ni1 O36 81.9(11) 2_776 2_776
O34 Ni1 O36 79.9(14) . 2_776
O10 Ni1 O28 90.1(10) . .
O30 Ni1 O28 89.3(10) 2_776 .
O34 Ni1 O28 174.4(12) . .
O36 Ni1 O28 104.9(13) 2_776 .
O10 Ni1 O22 80.3(9) . .
O30 Ni1 O22 93.5(9) 2_776 .
O34 Ni1 O22 93.3(10) . .
O36 Ni1 O22 171.8(13) 2_776 .
O28 Ni1 O22 81.7(10) . .
O10 Ni1 Ni4 134.4(7) . .
O30 Ni1 Ni4 44.3(7) 2_776 .
O34 Ni1 Ni4 44.9(7) . .
O36 Ni1 Ni4 83.7(11) 2_776 .
O28 Ni1 Ni4 131.9(8) . .
O22 Ni1 Ni4 88.2(6) . .
O14 Ni2 O34 174.8(12) . 2_776
O14 Ni2 O36 93.2(12) . .
O34 Ni2 O36 81.6(12) 2_776 .
O14 Ni2 O15 91.1(10) . .
O34 Ni2 O15 89.1(10) 2_776 .
O36 Ni2 O15 85.8(11) . .
O14 Ni2 O20 93.2(11) . .
O34 Ni2 O20 92.0(12) 2_776 .
O36 Ni2 O20 171.2(12) . .
O15 Ni2 O20 88.1(9) . .
O14 Ni2 O31 85.4(10) . .
O34 Ni2 O31 93.9(11) 2_776 .
O36 Ni2 O31 89.5(12) . .
O15 Ni2 O31 174.0(10) . .
O20 Ni2 O31 97.0(11) . .
O14 Ni2 Ni4 136.9(7) . .
O34 Ni2 Ni4 43.2(7) 2_776 .
O36 Ni2 Ni4 82.3(9) . .
O15 Ni2 Ni4 45.9(6) . .
O20 Ni2 Ni4 89.0(7) . .
O31 Ni2 Ni4 137.0(8) . .
O13 Ni3 O30 171.1(11) . .
O13 Ni3 O19 92.0(10) . .
O30 Ni3 O19 96.4(10) . .
O13 Ni3 O15 93.7(11) . .
O30 Ni3 O15 89.2(9) . .
O19 Ni3 O15 91.3(9) . .
O13 Ni3 O33 87.6(13) . .
O30 Ni3 O33 89.3(12) . .
O19 Ni3 O33 90.7(11) . .
O15 Ni3 O33 177.6(11) . .
O13 Ni3 O36 91.6(12) . .
O30 Ni3 O36 80.4(11) . .
O19 Ni3 O36 173.6(13) . .
O15 Ni3 O36 83.2(12) . .
O33 Ni3 O36 94.8(14) . .
O13 Ni3 Ni4 139.8(9) . .
O30 Ni3 Ni4 43.0(7) . .
O19 Ni3 Ni4 92.7(7) . .
O15 Ni3 Ni4 46.3(6) . .
O33 Ni3 Ni4 132.3(10) . .
O36 Ni3 Ni4 81.2(10) . .
O13 Ni3 K6 48.3(9) . 1_565
O30 Ni3 K6 124.7(7) . 1_565
O19 Ni3 K6 112.5(7) . 1_565
O15 Ni3 K6 133.4(7) . 1_565
O33 Ni3 K6 46.7(10) . 1_565
O36 Ni3 K6 73.8(10) . 1_565
Ni4 Ni3 K6 154.3(2) . 1_565
O30 Ni4 O30 180.000(8) . 2_776
O30 Ni4 O34 88.9(11) . 2_776
O30 Ni4 O34 91.1(11) 2_776 2_776
O30 Ni4 O34 91.1(11) . .
O30 Ni4 O34 88.9(11) 2_776 .
O34 Ni4 O34 180.000(4) 2_776 .
O30 Ni4 O15 88.2(9) . .
O30 Ni4 O15 91.8(10) 2_776 .
O34 Ni4 O15 87.1(10) 2_776 .
O34 Ni4 O15 92.9(10) . .
O30 Ni4 O15 91.8(10) . 2_776
O30 Ni4 O15 88.2(9) 2_776 2_776
O34 Ni4 O15 92.9(10) 2_776 2_776
O34 Ni4 O15 87.1(10) . 2_776
O15 Ni4 O15 180.000(6) . 2_776
O30 Ni4 Ni1 135.5(6) . .
O30 Ni4 Ni1 44.5(6) 2_776 .
O34 Ni4 Ni1 134.9(9) 2_776 .
O34 Ni4 Ni1 45.1(9) . .
O15 Ni4 Ni1 86.7(6) . .
O15 Ni4 Ni1 93.3(6) 2_776 .
O30 Ni4 Ni1 44.5(6) . 2_776
O30 Ni4 Ni1 135.5(6) 2_776 2_776
O34 Ni4 Ni1 45.1(9) 2_776 2_776
O34 Ni4 Ni1 134.9(9) . 2_776
O15 Ni4 Ni1 93.3(6) . 2_776
O15 Ni4 Ni1 86.7(6) 2_776 2_776
Ni1 Ni4 Ni1 180.000(1) . 2_776
O30 Ni4 Ni3 136.7(7) . 2_776
O30 Ni4 Ni3 43.3(7) 2_776 2_776
O34 Ni4 Ni3 90.0(8) 2_776 2_776
O34 Ni4 Ni3 90.0(8) . 2_776
O15 Ni4 Ni3 134.9(6) . 2_776
O15 Ni4 Ni3 45.1(6) 2_776 2_776
Ni1 Ni4 Ni3 64.47(13) . 2_776
Ni1 Ni4 Ni3 115.53(13) 2_776 2_776
O30 Ni4 Ni3 43.3(7) . .
O30 Ni4 Ni3 136.7(7) 2_776 .
O34 Ni4 Ni3 90.0(8) 2_776 .
O34 Ni4 Ni3 90.0(8) . .
O15 Ni4 Ni3 45.1(6) . .
O15 Ni4 Ni3 134.9(6) 2_776 .
Ni1 Ni4 Ni3 115.53(13) . .
Ni1 Ni4 Ni3 64.47(13) 2_776 .
Ni3 Ni4 Ni3 180.000(1) 2_776 .
O30 Ni4 Ni2 90.9(7) . 2_776
O30 Ni4 Ni2 89.1(7) 2_776 2_776
O34 Ni4 Ni2 137.5(8) 2_776 2_776
O34 Ni4 Ni2 42.5(8) . 2_776
O15 Ni4 Ni2 135.3(6) . 2_776
O15 Ni4 Ni2 44.7(6) 2_776 2_776
Ni1 Ni4 Ni2 63.66(15) . 2_776
Ni1 Ni4 Ni2 116.34(15) 2_776 2_776
Ni3 Ni4 Ni2 62.42(14) 2_776 2_776
Ni3 Ni4 Ni2 117.58(14) . 2_776
O30 Ni4 Ni2 89.1(7) . .
O30 Ni4 Ni2 90.9(7) 2_776 .
O34 Ni4 Ni2 42.5(8) 2_776 .
O34 Ni4 Ni2 137.5(8) . .
O15 Ni4 Ni2 44.7(6) . .
O15 Ni4 Ni2 135.3(6) 2_776 .
Ni1 Ni4 Ni2 116.34(15) . .
Ni1 Ni4 Ni2 63.66(15) 2_776 .
Ni3 Ni4 Ni2 117.58(14) 2_776 .
Ni3 Ni4 Ni2 62.42(14) . .
Ni2 Ni4 Ni2 180.000(1) 2_776 .
W1 O1 W5 153.2(17) . .
W1 O1 K3 97.6(10) . 2_765
W5 O1 K3 98.9(11) . 2_765
W1 O1 K2 102.8(11) . .
W5 O1 K2 99.5(12) . .
K3 O1 K2 84.7(8) 2_765 .
W5 O2 W8 118.4(15) . .
W1 O3 W6 147.3(14) . .
W7 O4 K4 158.4(14) . .
W7 O4 K5 94.3(9) . 1_455
K4 O4 K5 105.0(9) . 1_455
W1 O5 K1 140.9(13) . 2_765
W1 O5 K3 105.6(10) . 2_765
K1 O5 K3 99.2(8) 2_765 2_765
W8 O6 W3 118.4(12) . .
W7 O7 W2 118.1(13) . .
W2 O8 K2 97.7(11) . 2_775
W2 O8 K1 99.8(10) . 1_565
K2 O8 K1 128.2(10) 2_775 1_565
W2 O8 K3 171.3(14) . 1_565
K2 O8 K3 83.2(7) 2_775 1_565
K1 O8 K3 86.3(8) 1_565 1_565
W5 O9 W4 146.6(12) . .
W5 O9 K4 97.2(10) . 1_655
W4 O9 K4 105.4(10) . 1_655
W6 O10 Ni1 109.6(12) . .
W6 O10 K6 99.1(9) . .
Ni1 O10 K6 149.8(11) . .
Si1 O11 W2 123.5(11) . .
Si1 O11 W1 125.4(12) . .
W2 O11 W1 92.9(7) . .
Si1 O11 W7 124.2(12) . .
W2 O11 W7 90.8(7) . .
W1 O11 W7 90.2(7) . .
W5 O12 K3 104.9(12) . 2_765
W5 O12 K4 104.2(12) . 1_655
K3 O12 K4 86.9(7) 2_765 1_655
W2 O13 Ni3 137.2(15) . .
W2 O13 K6 116.8(12) . 1_565
Ni3 O13 K6 100.8(11) . 1_565
W3 O14 Ni2 139.2(17) . .
Si1 O15 Ni2 123.2(14) . .
Si1 O15 Ni3 122.5(12) . .
Ni2 O15 Ni3 94.5(9) . .
Si1 O15 Ni4 128.5(14) . .
Ni2 O15 Ni4 89.4(8) . .
Ni3 O15 Ni4 88.6(9) . .
W6 O16 K3 150.7(15) . .
W6 O16 K6 102.7(11) . .
K3 O16 K6 105.3(9) . .
W6 O16 K1 97.3(11) . .
K3 O16 K1 90.9(8) . .
K6 O16 K1 90.6(8) . .
Si1 O17 W8 124.1(13) . .
Si1 O17 W3 124.2(14) . .
W8 O17 W3 90.3(8) . .
Si1 O17 W5 125.4(12) . .
W8 O17 W5 90.9(9) . .
W3 O17 W5 91.8(9) . .
W7 O18 W6 150.0(15) . .
W7 O19 Ni3 137.1(14) . .
W7 O19 K5 105.5(10) . 1_455
Ni3 O19 K5 116.1(10) . 1_455
W8 O20 Ni2 136.7(15) . .
W8 O20 K5 106.8(12) . 2_876
Ni2 O20 K5 113.2(10) . 2_876
W8 O21 K5 97.8(10) . .
W8 O21 K5 98.3(10) . 2_876
K5 O21 K5 112.3(9) . 2_876
Si1 O22 Ni1 124.4(12) . .
Si1 O22 W6 128.3(12) . .
Ni1 O22 W6 89.0(8) . .
Si1 O22 W4 125.4(13) . .
Ni1 O22 W4 86.8(8) . .
W6 O22 W4 90.5(8) . .
W3 O23 K1 104.7(12) . 1_565
W1 O24 W2 120.0(11) . .
W1 O24 K2 132.7(9) . 2_775
W2 O24 K2 93.6(8) . 2_775
W1 O24 K2 106.7(9) . .
W2 O24 K2 99.3(8) . .
K2 O24 K2 98.6(7) 2_775 .
W1 O25 W7 116.6(11) . .
W8 O26 W4 147.2(17) . .
W8 O26 K5 94.4(10) . .
W4 O26 K5 97.9(11) . .
W4 O27 K5 101.7(11) . .
W4 O27 K4 104.2(11) . 1_655
K5 O27 K4 99.0(8) . 1_655
W4 O28 Ni1 108.1(14) . .
W2 O29 W3 147.4(14) . .
W2 O29 K2 107.8(9) . .
W3 O29 K2 101.9(11) . .
W2 O29 K1 98.0(10) . 1_565
W3 O29 K1 94.8(9) . 1_565
K2 O29 K1 90.4(8) . 1_565
Ni4 O30 Ni1 91.2(9) . 2_776
Ni4 O30 Ni3 93.7(10) . .
Ni1 O30 Ni3 100.5(11) 2_776 .
W6 O32 W4 118.3(14) . .
W6 O32 K1 111.9(12) . .
W4 O32 K1 129.2(14) . .
Ni3 O33 K6 100.9(13) . 1_565
Ni2 O34 Ni4 94.3(11) 2_776 .
Ni2 O34 Ni1 99.2(13) 2_776 .
Ni4 O34 Ni1 90.0(11) . .
W3 O35 W5 121.7(13) . .
W3 O35 K2 103.6(10) . .
W5 O35 K2 106.3(9) . .
Ni2 O36 Ni1 99.1(15) . 2_776
Ni2 O36 Ni3 96.1(15) . .
Ni1 O36 Ni3 96.9(13) 2_776 .
O32 K1 O5 105.6(9) . 2_765
O32 K1 OW6 118.7(10) . 2_765
O5 K1 OW6 71.0(9) 2_765 2_765
O32 K1 OW5 65.5(10) . 1_545
O5 K1 OW5 141.2(10) 2_765 1_545
OW6 K1 OW5 147.6(11) 2_765 1_545
O32 K1 O23 108.5(9) . 1_545
O5 K1 O23 135.2(9) 2_765 1_545
OW6 K1 O23 67.6(9) 2_765 1_545
OW5 K1 O23 80.5(10) 1_545 1_545
O32 K1 O29 141.3(8) . 1_545
O5 K1 O29 108.2(7) 2_765 1_545
OW6 K1 O29 90.1(9) 2_765 1_545
OW5 K1 O29 76.4(9) 1_545 1_545
O23 K1 O29 56.7(7) 1_545 1_545
O32 K1 O8 122.1(9) . 1_545
O5 K1 O8 70.4(8) 2_765 1_545
OW6 K1 O8 114.0(9) 2_765 1_545
OW5 K1 O8 82.7(9) 1_545 1_545
O23 K1 O8 112.3(8) 1_545 1_545
O29 K1 O8 55.7(7) 1_545 1_545
O32 K1 O16 54.6(8) . .
O5 K1 O16 73.7(7) 2_765 .
OW6 K1 O16 139.8(9) 2_765 .
OW5 K1 O16 70.9(9) 1_545 .
O23 K1 O16 150.9(8) 1_545 .
O29 K1 O16 119.2(8) 1_545 .
O8 K1 O16 70.2(7) 1_545 .
O32 K1 OW1 64.2(8) . 1_655
O5 K1 OW1 56.1(7) 2_765 1_655
OW6 K1 OW1 65.4(10) 2_765 1_655
OW5 K1 OW1 129.6(10) 1_545 1_655
O23 K1 OW1 116.9(9) 1_545 1_655
O29 K1 OW1 153.6(8) 1_545 1_655
O8 K1 OW1 123.9(9) 1_545 1_655
O16 K1 OW1 79.2(8) . 1_655
O32 K1 W3 121.1(7) . 1_545
O5 K1 W3 133.2(6) 2_765 1_545
OW6 K1 W3 83.2(8) 2_765 1_545
OW5 K1 W3 69.8(8) 1_545 1_545
O23 K1 W3 26.6(6) 1_545 1_545
O29 K1 W3 31.8(5) 1_545 1_545
O8 K1 W3 86.6(6) 1_545 1_545
O16 K1 W3 136.3(6) . 1_545
OW1 K1 W3 142.5(7) 1_655 1_545
O32 K1 W2 131.1(7) . 1_545
O5 K1 W2 93.3(6) 2_765 1_545
OW6 K1 W2 110.1(8) 2_765 1_545
OW5 K1 W2 71.5(8) 1_545 1_545
O23 K1 W2 85.6(6) 1_545 1_545
O29 K1 W2 29.9(5) 1_545 1_545
O8 K1 W2 27.4(5) 1_545 1_545
O16 K1 W2 90.5(5) . 1_545
OW1 K1 W2 149.3(6) 1_655 1_545
W3 K1 W2 59.40(15) 1_545 1_545
O32 K1 W6 27.9(7) . .
O5 K1 W6 89.1(6) 2_765 .
OW6 K1 W6 134.5(8) 2_765 .
OW5 K1 W6 65.6(8) 1_545 .
O23 K1 W6 132.7(6) 1_545 .
O29 K1 W6 135.4(6) 1_545 .
O8 K1 W6 95.7(6) 1_545 .
O16 K1 W6 26.7(4) . .
OW1 K1 W6 69.5(6) 1_655 .
W3 K1 W6 134.6(2) 1_545 .
W2 K1 W6 111.6(2) 1_545 .
O35 K2 O24 160.5(8) . 2_775
O35 K2 O29 57.8(8) . .
O24 K2 O29 105.4(8) 2_775 .
O35 K2 OW11 78.8(12) . .
O24 K2 OW11 105.0(13) 2_775 .
O29 K2 OW11 119.8(12) . .
O35 K2 O8 136.3(8) . 2_775
O24 K2 O8 62.4(7) 2_775 2_775
O29 K2 O8 138.3(9) . 2_775
OW11 K2 O8 101.8(12) . 2_775
O35 K2 O24 95.2(7) . .
O24 K2 O24 81.4(7) 2_775 .
O29 K2 O24 57.2(7) . .
OW11 K2 O24 173.7(13) . .
O8 K2 O24 81.2(7) 2_775 .
O35 K2 O1 56.7(7) . .
O24 K2 O1 130.8(8) 2_775 .
O29 K2 O1 69.9(8) . .
OW11 K2 O1 120.0(13) . .
O8 K2 O1 88.4(8) 2_775 .
O24 K2 O1 54.2(7) . .
O35 K2 OW6 91.8(8) . 2_775
O24 K2 OW6 75.7(8) 2_775 2_775
O29 K2 OW6 84.6(8) . 2_775
OW11 K2 OW6 55.2(13) . 2_775
O8 K2 OW6 124.8(9) 2_775 2_775
O24 K2 OW6 127.6(9) . 2_775
O1 K2 OW6 146.6(8) . 2_775
O35 K2 W2 164.0(6) . 2_775
O24 K2 W2 35.4(4) 2_775 2_775
O29 K2 W2 135.4(6) . 2_775
OW11 K2 W2 96.6(11) . 2_775
O8 K2 W2 29.2(6) 2_775 2_775
O24 K2 W2 88.7(5) . 2_775
O1 K2 W2 115.1(6) . 2_775
OW6 K2 W2 98.1(6) 2_775 2_775
O35 K2 W3 30.5(5) . .
O24 K2 W3 130.2(5) 2_775 .
O29 K2 W3 31.1(5) . .
OW11 K2 W3 92.0(11) . .
O8 K2 W3 158.2(7) 2_775 .
O24 K2 W3 83.5(4) . .
O1 K2 W3 70.1(5) . .
OW6 K2 W3 76.9(6) 2_775 .
W2 K2 W3 165.1(3) 2_775 .
O35 K2 W5 29.6(5) . .
O24 K2 W5 161.1(6) 2_775 .
O29 K2 W5 70.1(6) . .
OW11 K2 W5 92.8(12) . .
O8 K2 W5 108.1(6) 2_775 .
O24 K2 W5 81.0(5) . .
O1 K2 W5 30.3(5) . .
OW6 K2 W5 121.0(6) 2_775 .
W2 K2 W5 137.3(3) 2_775 .
W3 K2 W5 53.87(13) . .
O35 K2 W2 81.7(6) . .
O24 K2 W2 85.4(5) 2_775 .
O29 K2 W2 28.2(5) . .
OW11 K2 W2 146.4(11) . .
O8 K2 W2 111.2(6) 2_775 .
O24 K2 W2 32.4(4) . .
O1 K2 W2 68.7(6) . .
OW6 K2 W2 98.6(7) 2_775 .
W2 K2 W2 108.9(3) 2_775 .
W3 K2 W2 58.80(14) . .
W5 K2 W2 83.3(2) . .
O16 K3 OW12 84.0(12) . 1_545
O16 K3 O5 81.3(8) . 2_765
OW12 K3 O5 146.4(13) 1_545 2_765
O16 K3 OW1 100.9(9) . 2_665
OW12 K3 OW1 139.8(14) 1_545 2_665
O5 K3 OW1 72.9(9) 2_765 2_665
O16 K3 OW2 79.0(8) . .
OW12 K3 OW2 76.3(13) 1_545 .
O5 K3 OW2 129.4(8) 2_765 .
OW1 K3 OW2 65.9(9) 2_665 .
O16 K3 O12 162.6(9) . 2_765
OW12 K3 O12 86.1(12) 1_545 2_765
O5 K3 O12 114.2(8) 2_765 2_765
OW1 K3 O12 77.7(9) 2_665 2_765
OW2 K3 O12 84.7(8) . 2_765
O16 K3 O1 139.3(9) . 2_765
OW12 K3 O1 128.3(13) 1_545 2_765
O5 K3 O1 58.1(7) 2_765 2_765
OW1 K3 O1 71.3(8) 2_665 2_765
OW2 K3 O1 127.4(8) . 2_765
O12 K3 O1 57.1(8) 2_765 2_765
O16 K3 O8 77.1(8) . 1_545
OW12 K3 O8 79.3(13) 1_545 1_545
O5 K3 O8 68.1(8) 2_765 1_545
OW1 K3 O8 140.8(10) 2_665 1_545
OW2 K3 O8 147.3(8) . 1_545
O12 K3 O8 115.1(8) 2_765 1_545
O1 K3 O8 85.0(8) 2_765 1_545
O16 K3 W1 108.6(7) . 2_765
OW12 K3 W1 148.8(12) 1_545 2_765
O5 K3 W1 27.3(5) 2_765 2_765
OW1 K3 W1 67.4(7) 2_665 2_765
OW2 K3 W1 133.2(6) . 2_765
O12 K3 W1 87.0(6) 2_765 2_765
O1 K3 W1 30.8(6) 2_765 2_765
O8 K3 W1 76.2(6) 1_545 2_765
O16 K3 W5 167.5(7) . 2_765
OW12 K3 W5 108.5(11) 1_545 2_765
O5 K3 W5 87.7(5) 2_765 2_765
OW1 K3 W5 69.9(6) 2_665 2_765
OW2 K3 W5 103.7(5) . 2_765
O12 K3 W5 26.6(6) 2_765 2_765
O1 K3 W5 30.8(5) 2_765 2_765
O8 K3 W5 104.5(5) 1_545 2_765
W1 K3 W5 60.47(15) 2_765 2_765
O16 K3 K2 123.0(7) . 2_765
OW12 K3 K2 88.6(12) 1_545 2_765
O5 K3 K2 74.6(5) 2_765 2_765
OW1 K3 K2 119.2(6) 2_665 2_765
OW2 K3 K2 152.2(6) . 2_765
O12 K3 K2 71.0(6) 2_765 2_765
O1 K3 K2 48.0(6) 2_765 2_765
O8 K3 K2 46.1(5) 1_545 2_765
W1 K3 K2 60.4(2) 2_765 2_765
W5 K3 K2 58.88(19) 2_765 2_765
O16 K3 K4 121.0(7) . 2_665
OW12 K3 K4 100.7(11) 1_545 2_665
O5 K3 K4 112.7(6) 2_765 2_665
OW1 K3 K4 42.7(8) 2_665 2_665
OW2 K3 K4 46.9(5) . 2_665
O12 K3 K4 47.2(6) 2_765 2_665
O1 K3 K4 80.9(6) 2_765 2_665
O8 K3 K4 161.9(6) 1_545 2_665
W1 K3 K4 96.7(3) 2_765 2_665
W5 K3 K4 58.1(2) 2_765 2_665
K2 K3 K4 115.9(3) 2_765 2_665
O4 K4 OW1 149.0(9) . .
O4 K4 OW2 123.8(9) . 2_665
OW1 K4 OW2 66.5(9) . 2_665
O4 K4 OW9 75.6(8) . 2_776
OW1 K4 OW9 126.0(10) . 2_776
OW2 K4 OW9 123.2(8) 2_665 2_776
O4 K4 O12 74.7(8) . 1_455
OW1 K4 O12 78.5(8) . 1_455
OW2 K4 O12 82.6(8) 2_665 1_455
OW9 K4 O12 148.5(8) 2_776 1_455
O4 K4 O9 89.7(8) . 1_455
OW1 K4 O9 62.1(7) . 1_455
OW2 K4 O9 117.9(8) 2_665 1_455
OW9 K4 O9 114.5(8) 2_776 1_455
O12 K4 O9 55.5(7) 1_455 1_455
O4 K4 OW6 142.3(10) . 2_665
OW1 K4 OW6 67.3(9) . 2_665
OW2 K4 OW6 70.1(8) 2_665 2_665
OW9 K4 OW6 68.8(9) 2_776 2_665
O12 K4 OW6 142.4(9) 1_455 2_665
O9 K4 OW6 115.8(9) 1_455 2_665
O4 K4 OW2 68.8(8) . .
OW1 K4 OW2 140.5(8) . .
OW2 K4 OW2 81.7(8) 2_665 .
OW9 K4 OW2 54.5(8) 2_776 .
O12 K4 OW2 121.5(8) 1_455 .
O9 K4 OW2 157.3(7) 1_455 .
OW6 K4 OW2 80.5(9) 2_665 .
O4 K4 O27 78.6(7) . 1_455
OW1 K4 O27 91.6(9) . 1_455
OW2 K4 O27 157.0(8) 2_665 1_455
OW9 K4 O27 63.3(8) 2_776 1_455
O12 K4 O27 100.6(7) 1_455 1_455
O9 K4 O27 51.2(7) 1_455 1_455
OW6 K4 O27 95.5(8) 2_665 1_455
OW2 K4 O27 114.5(7) . 1_455
O4 K4 W5 78.9(6) . 1_455
OW1 K4 W5 70.2(6) . 1_455
OW2 K4 W5 101.6(6) 2_665 1_455
OW9 K4 W5 135.2(6) 2_776 1_455
O12 K4 W5 26.4(5) 1_455 1_455
O9 K4 W5 29.3(5) 1_455 1_455
OW6 K4 W5 136.3(8) 2_665 1_455
OW2 K4 W5 142.3(6) . 1_455
O27 K4 W5 76.0(5) 1_455 1_455
O4 K4 K3 117.7(7) . 2_665
OW1 K4 K3 45.0(7) . 2_665
OW2 K4 K3 45.7(6) 2_665 2_665
OW9 K4 K3 165.6(6) 2_776 2_665
O12 K4 K3 45.9(5) 1_455 2_665
O9 K4 K3 73.1(5) 1_455 2_665
OW6 K4 K3 97.0(7) 2_665 2_665
OW2 K4 K3 122.7(6) . 2_665
O27 K4 K3 122.6(6) 1_455 2_665
W5 K4 K3 57.1(2) 1_455 2_665
O4 K4 W4 88.6(6) . 1_455
OW1 K4 W4 72.6(7) . 1_455
OW2 K4 W4 138.4(6) 2_665 1_455
OW9 K4 W4 87.0(6) 2_776 1_455
O12 K4 W4 82.2(6) 1_455 1_455
O9 K4 W4 28.2(5) 1_455 1_455
OW6 K4 W4 101.1(7) 2_665 1_455
OW2 K4 W4 138.5(6) . 1_455
O27 K4 W4 24.2(5) 1_455 1_455
W5 K4 W4 55.98(16) 1_455 1_455
K3 K4 W4 98.5(3) 2_665 1_455
OW4 K5 O26 131.5(9) 2_876 .
OW4 K5 O21 170.5(10) 2_876 .
O26 K5 O21 56.9(8) . .
OW4 K5 O19 81.5(9) 2_876 1_655
O26 K5 O19 130.8(9) . 1_655
O21 K5 O19 89.3(8) . 1_655
OW4 K5 O27 73.0(9) 2_876 .
O26 K5 O27 58.6(8) . .
O21 K5 O27 114.9(8) . .
O19 K5 O27 128.4(8) 1_655 .
OW4 K5 O20 87.2(9) 2_876 2_876
O26 K5 O20 119.6(9) . 2_876
O21 K5 O20 91.2(7) . 2_876
O19 K5 O20 92.9(7) 1_655 2_876
O27 K5 O20 128.6(8) . 2_876
OW4 K5 O21 117.6(9) 2_876 2_876
O26 K5 O21 69.5(8) . 2_876
O21 K5 O21 67.7(9) . 2_876
O19 K5 O21 133.6(7) 1_655 2_876
O27 K5 O21 98.0(8) . 2_876
O20 K5 O21 50.4(7) 2_876 2_876
OW4 K5 O4 66.9(8) 2_876 1_655
O26 K5 O4 102.3(8) . 1_655
O21 K5 O4 109.0(8) . 1_655
O19 K5 O4 52.4(6) 1_655 1_655
O27 K5 O4 76.3(7) . 1_655
O20 K5 O4 137.9(8) 2_876 1_655
O21 K5 O4 171.7(7) 2_876 1_655
OW4 K5 W8 156.8(7) 2_876 .
O26 K5 W8 32.1(6) . .
O21 K5 W8 28.5(5) . .
O19 K5 W8 102.7(6) 1_655 .
O27 K5 W8 87.2(6) . .
O20 K5 W8 115.0(6) 2_876 .
O21 K5 W8 76.1(5) 2_876 .
O4 K5 W8 97.4(5) 1_655 .
OW4 K5 W4 100.0(7) 2_876 .
O26 K5 W4 31.6(5) . .
O21 K5 W4 88.1(6) . .
O19 K5 W4 136.7(6) 1_655 .
O27 K5 W4 27.1(5) . .
O20 K5 W4 130.3(6) 2_876 .
O21 K5 W4 84.3(5) 2_876 .
O4 K5 W4 88.1(5) 1_655 .
W8 K5 W4 61.15(18) . .
OW4 K5 W7 67.1(8) 2_876 1_655
O26 K5 W7 123.5(7) . 1_655
O21 K5 W7 105.1(6) . 1_655
O19 K5 W7 26.6(4) 1_655 1_655
O27 K5 W7 101.9(6) . 1_655
O20 K5 W7 113.2(6) 2_876 1_655
O21 K5 W7 160.0(5) 2_876 1_655
O4 K5 W7 26.9(5) 1_655 1_655
W8 K5 W7 106.8(3) . 1_655
W4 K5 W7 114.8(3) . 1_655
OW4 K5 W8 106.1(7) 2_876 2_876
O26 K5 W8 94.8(6) . 2_876
O21 K5 W8 75.2(5) . 2_876
O19 K5 W8 111.1(5) 1_655 2_876
O27 K5 W8 118.7(6) . 2_876
O20 K5 W8 24.9(5) 2_876 2_876
O21 K5 W8 26.2(4) 2_876 2_876
O4 K5 W8 161.9(6) 1_655 2_876
W8 K5 W8 93.7(2) . 2_876
W4 K5 W8 109.9(3) . 2_876
W7 K5 W8 135.3(3) 1_655 2_876
OW5 K6 OW8 77.5(11) 1_545 2_776
OW5 K6 O33 104.8(11) 1_545 1_545
OW8 K6 O33 70.6(10) 2_776 1_545
OW5 K6 O16 77.7(10) 1_545 .
OW8 K6 O16 126.2(9) 2_776 .
O33 K6 O16 162.6(10) 1_545 .
OW5 K6 O10 66.0(9) 1_545 .
OW8 K6 O10 69.3(9) 2_776 .
O33 K6 O10 139.9(9) 1_545 .
O16 K6 O10 57.1(7) . .
OW5 K6 O13 62.5(10) 1_545 1_545
OW8 K6 O13 99.8(9) 2_776 1_545
O33 K6 O13 58.9(10) 1_545 1_545
O16 K6 O13 109.5(9) . 1_545
O10 K6 O13 128.5(8) . 1_545
OW5 K6 OW10 150.9(10) 1_545 1_445
OW8 K6 OW10 73.5(10) 2_776 1_445
O33 K6 OW10 67.7(10) 1_545 1_445
O16 K6 OW10 118.2(9) . 1_445
O10 K6 OW10 100.9(9) . 1_445
O13 K6 OW10 124.8(10) 1_545 1_445
OW5 K6 OW3 127.4(10) 1_545 1_545
OW8 K6 OW3 121.9(10) 2_776 1_545
O33 K6 OW3 53.5(9) 1_545 1_545
O16 K6 OW3 111.1(8) . 1_545
O10 K6 OW3 162.3(8) . 1_545
O13 K6 OW3 65.9(8) 1_545 1_545
OW10 K6 OW3 72.2(9) 1_445 1_545
OW5 K6 W6 69.1(8) 1_545 .
OW8 K6 W6 98.7(8) 2_776 .
O33 K6 W6 169.0(7) 1_545 .
O16 K6 W6 27.5(5) . .
O10 K6 W6 29.6(5) . .
O13 K6 W6 122.2(7) 1_545 .
OW10 K6 W6 112.9(8) 1_445 .
OW3 K6 W6 137.6(6) 1_545 .
OW5 K6 Ni3 74.5(8) 1_545 1_545
OW8 K6 Ni3 74.9(7) 2_776 1_545
O33 K6 Ni3 32.4(7) 1_545 1_545
O16 K6 Ni3 139.8(7) . 1_545
O10 K6 Ni3 130.9(6) . 1_545
O13 K6 Ni3 30.8(6) 1_545 1_545
OW10 K6 Ni3 99.8(8) 1_445 1_545
OW3 K6 Ni3 66.7(6) 1_545 1_545
W6 K6 Ni3 143.5(4) . 1_545
OW5 K6 W2 66.7(8) 1_545 1_545
OW8 K6 W2 122.2(8) 2_776 1_545
O33 K6 W2 76.4(8) 1_545 1_545
O16 K6 W2 89.2(6) . 1_545
O10 K6 W2 126.3(6) . 1_545
O13 K6 W2 23.3(5) 1_545 1_545
OW10 K6 W2 132.7(7) 1_445 1_545
OW3 K6 W2 61.9(6) 1_545 1_545
W6 K6 W2 108.2(3) . 1_545
Ni3 K6 W2 53.13(17) 1_545 1_545
OW5 K6 K1 39.3(8) 1_545 .
OW8 K6 K1 115.8(9) 2_776 .
O33 K6 K1 124.6(8) 1_545 .
O16 K6 K1 47.9(6) . .
O10 K6 K1 74.3(5) . .
O13 K6 K1 65.9(6) 1_545 .
OW10 K6 K1 165.9(8) 1_445 .
OW3 K6 K1 108.4(6) 1_545 .
W6 K6 K1 56.7(2) . .
Ni3 K6 K1 93.2(3) 1_545 .
W2 K6 K1 53.0(2) 1_545 .
K4 OW1 K3 92.4(12) . 2_665
K4 OW1 K1 88.6(9) . 1_455
K3 OW1 K1 172.0(10) 2_665 1_455
K3 OW2 K4 87.3(7) . 2_665
K3 OW2 K4 154.4(11) . .
K4 OW2 K4 98.3(8) 2_665 .
K6 OW5 K1 102.9(11) 1_565 1_565
K1 OW6 K4 90.6(10) 2_765 2_665
K1 OW6 K2 85.6(10) 2_765 2_775
K4 OW6 K2 166.0(12) 2_665 2_775
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O5 1.76(2) .
W1 O3 1.85(3) .
W1 O25 1.86(3) .
W1 O24 1.86(2) .
W1 O1 1.91(3) .
W1 O11 2.35(2) .
W1 K3 3.699(10) 2_765
W1 K2 3.859(10) .
W2 O8 1.75(3) .
W2 O13 1.81(3) .
W2 O29 1.89(3) .
W2 O7 1.96(3) .
W2 O24 2.07(2) .
W2 O11 2.34(2) .
W2 K2 3.558(9) 2_775
W2 K1 3.753(10) 1_565
W2 K2 3.811(10) .
W2 K6 4.082(12) 1_565
W3 O23 1.72(3) .
W3 O14 1.78(3) .
W3 O35 1.95(2) .
W3 O29 1.97(2) .
W3 O6 1.98(3) .
W3 O17 2.36(3) .
W3 K1 3.714(9) 1_565
W3 K2 3.724(9) .
W4 O27 1.73(3) .
W4 O28 1.78(3) .
W4 O32 1.93(3) .
W4 O26 1.96(3) .
W4 O9 2.00(3) .
W4 O22 2.36(2) .
W4 K5 3.716(11) .
W4 K4 4.091(13) 1_655
W5 O12 1.74(3) .
W5 O9 1.87(3) .
W5 O2 1.89(3) .
W5 O1 1.94(3) .
W5 O35 1.95(3) .
W5 O17 2.38(2) .
W5 K3 3.751(9) 2_765
W5 K4 3.791(11) 1_655
W5 K2 3.794(10) .
W6 O16 1.73(2) .
W6 O10 1.83(2) .
W6 O32 1.93(3) .
W6 O18 1.94(3) .
W6 O3 2.02(2) .
W6 O22 2.31(2) .
W6 K6 3.657(11) .
W6 K1 3.832(9) .
W7 O4 1.73(3) .
W7 O19 1.77(2) .
W7 O18 1.93(3) .
W7 O7 1.94(3) .
W7 O25 2.07(2) .
W7 O11 2.36(2) .
W7 K5 3.806(12) 1_455
W8 O20 1.70(3) .
W8 O21 1.73(2) .
W8 O6 1.89(3) .
W8 O26 1.91(3) .
W8 O2 2.02(3) .
W8 O17 2.33(2) .
W8 K5 3.592(11) .
W8 K5 3.867(11) 2_876
Si1 O15 1.62(2) .
Si1 O17 1.64(3) .
Si1 O22 1.64(2) .
Si1 O11 1.66(2) .
Ni1 O10 2.02(2) .
Ni1 O30 2.03(2) 2_776
Ni1 O34 2.05(3) .
Ni1 O36 2.05(3) 2_776
Ni1 O28 2.08(3) .
Ni1 O22 2.18(2) .
Ni1 Ni4 2.895(5) .
Ni2 O14 1.99(3) .
Ni2 O34 2.01(3) 2_776
Ni2 O36 2.02(4) .
Ni2 O15 2.09(2) .
Ni2 O20 2.10(3) .
Ni2 O31 2.12(3) .
Ni2 Ni4 2.975(5) .
Ni3 O13 2.01(3) .
Ni3 O30 2.03(2) .
Ni3 O19 2.08(2) .
Ni3 O15 2.09(2) .
Ni3 O33 2.11(4) .
Ni3 O36 2.12(3) .
Ni3 Ni4 2.957(5) .
Ni3 K6 3.861(12) 1_565
Ni4 O30 2.02(2) .
Ni4 O30 2.02(2) 2_776
Ni4 O34 2.04(3) 2_776
Ni4 O34 2.04(3) .
Ni4 O15 2.14(2) .
Ni4 O15 2.14(2) 2_776
Ni4 Ni1 2.895(5) 2_776
Ni4 Ni3 2.957(5) 2_776
Ni4 Ni2 2.975(5) 2_776
O1 K3 2.92(3) 2_765
O1 K2 2.95(3) .
O4 K4 2.73(3) .
O4 K5 3.26(3) 1_455
O5 K1 2.68(2) 2_765
O5 K3 2.81(3) 2_765
O8 K2 2.87(3) 2_775
O8 K1 3.03(3) 1_565
O8 K3 3.09(3) 1_565
O9 K4 3.07(3) 1_655
O10 K6 2.89(3) .
O12 K3 2.91(3) 2_765
O12 K4 2.97(3) 1_655
O13 K6 2.94(3) 1_565
O16 K3 2.64(3) .
O16 K6 2.86(3) .
O16 K1 3.21(3) .
O19 K5 2.93(3) 1_455
O20 K5 3.02(3) 2_876
O21 K5 2.92(3) .
O21 K5 3.22(3) 2_876
O23 K1 2.89(3) 1_565
O24 K2 2.77(2) 2_775
O24 K2 2.89(2) .
O26 K5 2.90(3) .
O27 K5 2.96(3) .
O27 K4 3.31(3) 1_655
O29 K2 2.78(3) .
O29 K1 2.99(3) 1_565
O30 Ni1 2.03(2) 2_776
O32 K1 2.67(3) .
O33 K6 2.86(4) 1_565
O34 Ni2 2.01(3) 2_776
O35 K2 2.75(2) .
O36 Ni1 2.05(3) 2_776
K1 O5 2.68(2) 2_765
K1 OW6 2.76(4) 2_765
K1 OW5 2.81(4) 1_545
K1 O23 2.89(3) 1_545
K1 O29 2.99(3) 1_545
K1 O8 3.03(3) 1_545
K1 OW1 3.22(3) 1_655
K1 W3 3.714(9) 1_545
K1 W2 3.753(10) 1_545
K2 O24 2.77(2) 2_775
K2 OW11 2.80(6) .
K2 O8 2.87(3) 2_775
K2 OW6 3.25(4) 2_775
K2 W2 3.558(9) 2_775
K3 OW12 2.75(6) 1_545
K3 O5 2.81(3) 2_765
K3 OW1 2.86(3) 2_665
K3 OW2 2.90(3) .
K3 O12 2.91(3) 2_765
K3 O1 2.92(3) 2_765
K3 O8 3.09(3) 1_545
K3 W1 3.699(10) 2_765
K3 W5 3.751(9) 2_765
K3 K2 3.959(14) 2_765
K3 K4 4.042(14) 2_665
K4 OW1 2.74(4) .
K4 OW2 2.96(3) 2_665
K4 OW9 2.96(3) 2_776
K4 O12 2.97(3) 1_455
K4 O9 3.07(3) 1_455
K4 OW6 3.11(4) 2_665
K4 OW2 3.13(3) .
K4 O27 3.31(3) 1_455
K4 W5 3.791(11) 1_455
K4 K3 4.042(15) 2_665
K4 W4 4.091(13) 1_455
K5 OW4 2.77(4) 2_876
K5 O19 2.93(3) 1_655
K5 O20 3.02(3) 2_876
K5 O21 3.22(3) 2_876
K5 O4 3.26(3) 1_655
K5 W7 3.806(12) 1_655
K5 W8 3.867(11) 2_876
K6 OW5 2.72(4) 1_545
K6 OW8 2.84(4) 2_776
K6 O33 2.86(4) 1_545
K6 O13 2.94(3) 1_545
K6 OW10 2.97(4) 1_445
K6 OW3 3.17(3) 1_545
K6 Ni3 3.861(12) 1_545
K6 W2 4.082(12) 1_545
OW1 K3 2.86(3) 2_665
OW1 K1 3.22(3) 1_455
OW2 K4 2.96(3) 2_665
OW3 K6 3.17(3) 1_565
OW4 K5 2.77(4) 2_876
OW5 K6 2.72(4) 1_565
OW5 K1 2.81(4) 1_565
OW6 K1 2.76(4) 2_765
OW6 K4 3.11(4) 2_665
OW6 K2 3.25(4) 2_775
OW8 K6 2.84(4) 2_776
OW9 K4 2.96(3) 2_776
OW10 K6 2.97(4) 1_665
OW12 K3 2.75(6) 1_565
