#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/25/4122502.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_4122502
loop_
_publ_author_name
'Winter, Ross S.'
'Cameron, Jamie M.'
'Cronin, Leroy'
_publ_section_title
;
 Controlling the minimal self assembly of "complex"
 polyoxometalate clusters.
;
_journal_issue                   36
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12753
_journal_page_last               12761
_journal_paper_doi               10.1021/ja5067916
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'Fe11 H100 K13 O189 Si4 W36'
_chemical_formula_weight         10978.41
_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   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.182(2)
_cell_angle_beta                 95.372(2)
_cell_angle_gamma                93.305(2)
_cell_formula_units_Z            1
_cell_length_a                   12.3820(5)
_cell_length_b                   19.4110(8)
_cell_length_c                   22.2451(9)
_cell_measurement_reflns_used    9949
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.32
_cell_volume                     4828.8(4)
_computing_cell_refinement       Apex2
_computing_data_collection       Apex2
_computing_data_reduction        Apex2
_computing_molecular_graphics    Diamond3
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Apex II Quasar'
_diffrn_measurement_method       'ω & π scans'
_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  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            72663
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    22.554
_exptl_absorpt_correction_T_max  0.4657
_exptl_absorpt_correction_T_min  0.1905
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    3.775
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4865
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.65
_refine_diff_density_min         -1.30
_refine_diff_density_rms         0.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1199
_refine_ls_number_reflns         19727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0335P)²+73.9383P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0855
_reflns_number_gt                16170
_reflns_number_total             19727
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5067916_si_006.cif
_cod_data_source_block           rw1009g
_cod_depositor_comments
'Adding full bibliography for 4122497--4122503.cif.'
_cod_original_cell_volume        4828.7(3)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'H100 Fe11 K13 O189 Si4 W36'
_cod_database_code               4122502
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 0.36957(4) 0.72805(2) 0.87197(2) 0.02087(10) Uani 1 1 d .
W2 W 0.15330(4) 0.82206(2) 0.89920(2) 0.01859(9) Uani 1 1 d .
W3 W 0.23588(4) 0.56629(2) 0.89854(2) 0.02400(10) Uani 1 1 d .
W4 W -0.00597(4) 0.67093(2) 0.92779(2) 0.02240(10) Uani 1 1 d .
W5 W -0.11765(3) 0.72526(2) 0.81586(2) 0.01968(9) Uani 1 1 d .
W6 W 0.35304(4) 0.52444(2) 0.76224(2) 0.02273(10) Uani 1 1 d .
W7 W 0.10899(4) 0.43752(2) 0.74879(2) 0.02314(10) Uani 1 1 d .
W8 W -0.13585(4) 0.54210(2) 0.77944(2) 0.02164(10) Uani 1 1 d .
W9 W -0.06240(3) 0.60274(2) 0.64859(2) 0.01796(9) Uani 1 1 d .
W10 W 0.15562(4) 0.51342(2) 0.62389(2) 0.01946(9) Uani 1 1 d .
W11 W 0.38168(3) 0.76425(2) 0.55179(2) 0.01775(9) Uani 1 1 d .
W12 W 0.16695(3) 0.85705(2) 0.58087(2) 0.01922(9) Uani 1 1 d .
W13 W 0.15469(3) 1.01993(2) 0.74049(2) 0.01890(9) Uani 1 1 d .
W14 W 0.40520(4) 1.10814(2) 0.80747(2) 0.01798(9) Uani 1 1 d .
W15 W 0.64808(3) 1.00242(2) 0.77582(2) 0.01765(9) Uani 1 1 d .
W16 W 0.32779(4) 1.04463(2) 0.64269(2) 0.01870(9) Uani 1 1 d .
W17 W 0.62170(3) 0.81661(2) 0.67930(2) 0.01833(9) Uani 1 1 d .
W18 W 0.57224(3) 0.93908(2) 0.61102(2) 0.01821(9) Uani 1 1 d .
Fe1 Fe 0.49725(12) 0.86890(8) 0.82496(7) 0.0167(3) Uani 1 1 d .
Fe2 Fe 0.29064(12) 0.95899(8) 0.85202(7) 0.0163(3) Uani 1 1 d .
Fe3 Fe 0.52355(12) 1.04060(8) 0.91899(7) 0.0179(3) Uani 1 1 d .
Fe4 Fe 0.68363(12) 0.92070(8) 0.97408(7) 0.0181(3) Uani 1 1 d .
Fe5 Fe 0.15642(12) 0.68199(8) 0.59647(7) 0.0191(3) Uani 1 1 d .
Fe6 Fe 0.5533(7) 0.7066(5) 0.4149(4) 0.0308(19) Uiso 0.20 1 d P
Fe7 Fe 0.3555(17) 0.5162(12) 1.0374(10) 0.045(5) Uiso 0.10 1 d P
Fe8' Fe 0.0012(17) 0.9171(11) 0.4763(10) 0.043(5) Uiso 0.10 1 d P
Fe8 Fe -0.0172(18) 0.8429(12) 0.4289(11) 0.049(5) Uiso 0.10 1 d P
Si1 Si 0.1218(2) 0.63111(15) 0.78570(13) 0.0169(6) Uani 1 1 d .
Si2 Si 0.3821(2) 0.91233(15) 0.70846(13) 0.0147(6) Uani 1 1 d .
K1 K 0.4233(3) 0.6594(2) 0.6761(2) 0.0407(13) Uani 0.712(7) 1 d P
K1' K 0.5822(7) 0.6694(5) 0.7659(4) 0.024(2) Uiso 0.288(7) 1 d P
K2 K 0.0202(5) 0.8330(3) 0.7306(3) 0.0356(13) Uani 0.50 1 d P
K3' K -0.1544(12) 0.7050(10) 0.5500(9) 0.023(3) Uiso 0.25 1 d P
K3 K -0.1212(6) 0.7114(4) 0.5459(4) 0.051(2) Uani 0.60 1 d P
K4 K 0.3960(5) 0.5722(3) 0.3630(2) 0.0645(19) Uani 0.60 1 d P
K5 K 0.9080(7) 0.9318(5) 0.8307(4) 0.069(2) Uani 0.50 1 d P
K6 K 0.9487(6) 1.1676(4) 0.8767(4) 0.069(2) Uani 0.50 1 d P
K8 K 0.5909(8) 0.4851(7) 0.8554(5) 0.098(3) Uani 0.50 1 d P
K8' K 0.554(4) 0.524(3) 0.911(3) 0.086(13) Uiso 0.10 1 d P
K9 K 0.5312(15) 1.3233(7) 0.9734(6) 0.093(6) Uani 0.30 1 d P
K10 K 0.8877(10) 0.8672(8) 0.6273(7) 0.142(5) Uani 0.50 1 d P
K11 K 0.8164(11) 0.7981(7) 1.0797(5) 0.065(4) Uani 0.30 1 d P
K12 K 0.3369(19) 0.3639(13) 0.8453(11) 0.053(5) Uiso 0.15 1 d P
K13 K 0.3411(13) 0.9019(9) 0.4555(8) 0.045(4) Uiso 0.20 1 d P
K14 K 0.055(3) 0.4083(18) 0.9173(16) 0.064(8) Uiso 0.12 1 d P
K15 K 0.464(3) 1.276(2) 0.754(2) 0.072(11) Uiso 0.10 1 d P
O1 O 0.4869(6) 0.7433(4) 0.9269(4) 0.0277(18) Uani 1 1 d .
O2 O 0.4071(6) 0.7814(4) 0.8271(3) 0.0186(15) Uani 1 1 d .
O3 O 0.3872(6) 0.6327(4) 0.8021(3) 0.0220(16) Uani 1 1 d .
O4 O 0.1992(6) 0.7114(4) 0.8225(3) 0.0184(15) Uani 1 1 d .
O5 O 0.2945(6) 0.8074(4) 0.9339(3) 0.0224(16) Uani 1 1 d .
O6 O 0.2964(6) 0.6606(4) 0.9150(3) 0.0251(17) Uani 1 1 d .
O7 O 0.2080(6) 0.8673(4) 0.8517(3) 0.0196(15) Uani 1 1 d .
O8 O 0.1283(7) 0.8988(4) 0.9692(4) 0.0285(18) Uani 1 1 d .
O9 O 0.0135(6) 0.7915(4) 0.8467(3) 0.0186(15) Uani 1 1 d .
O10 O 0.0980(6) 0.7465(4) 0.9389(3) 0.0227(16) Uani 1 1 d .
O11 O 0.1819(6) 0.5630(4) 0.7962(3) 0.0200(15) Uani 1 1 d .
O12 O 0.2813(7) 0.5519(5) 0.9675(4) 0.037(2) Uani 1 1 d .
O13 O 0.3593(6) 0.5293(4) 0.8490(4) 0.0269(18) Uani 1 1 d .
O14 O 0.1625(7) 0.4646(4) 0.8412(4) 0.0289(18) Uani 1 1 d .
O15 O 0.0978(6) 0.5998(4) 0.9200(4) 0.0278(18) Uani 1 1 d .
O16 O 0.0055(6) 0.6386(4) 0.8178(3) 0.0187(15) Uani 1 1 d .
O17 O -0.0367(7) 0.6895(4) 1.0059(4) 0.0317(19) Uani 1 1 d .
O18 O -0.1145(6) 0.5826(4) 0.8742(4) 0.0251(17) Uani 1 1 d .
O19 O -0.1109(6) 0.7290(4) 0.9040(3) 0.0231(16) Uani 1 1 d .
O20 O -0.2148(6) 0.7852(4) 0.8187(4) 0.0256(17) Uani 1 1 d .
O21 O -0.0880(6) 0.6897(4) 0.7275(3) 0.0202(16) Uani 1 1 d .
O22 O -0.2078(6) 0.6329(4) 0.7915(4) 0.0235(16) Uani 1 1 d .
O23 O 0.4757(7) 0.4946(4) 0.7405(4) 0.0326(19) Uani 1 1 d .
O24 O 0.2871(6) 0.5304(4) 0.6830(3) 0.0206(16) Uani 1 1 d .
O25 O 0.2624(6) 0.4318(4) 0.7350(4) 0.0270(17) Uani 1 1 d .
O26 O 0.0933(6) 0.4540(4) 0.6723(3) 0.0226(16) Uani 1 1 d .
O27 O 0.0699(7) 0.3419(4) 0.7215(4) 0.0309(19) Uani 1 1 d .
O28 O -0.0247(6) 0.4763(4) 0.7743(4) 0.0253(17) Uani 1 1 d .
O29 O -0.2501(6) 0.4787(4) 0.7601(4) 0.0274(18) Uani 1 1 d .
O30 O -0.1102(6) 0.5403(4) 0.6973(3) 0.0212(16) Uani 1 1 d .
O31 O -0.1850(6) 0.5867(4) 0.5994(4) 0.0243(17) Uani 1 1 d .
O32 O 0.0962(6) 0.6083(4) 0.7071(3) 0.0176(15) Uani 1 1 d .
O33 O 0.0138(6) 0.6649(4) 0.6223(3) 0.0197(15) Uani 1 1 d .
O34 O 0.0042(5) 0.5153(4) 0.5944(3) 0.0184(15) Uani 1 1 d .
O35 O 0.1997(6) 0.5881(4) 0.6003(3) 0.0221(16) Uani 1 1 d .
O36 O 0.1799(6) 0.4330(4) 0.5571(4) 0.0266(17) Uani 1 1 d .
O37 O 0.2237(6) 0.7447(4) 0.6999(3) 0.0245(17) Uani 1 1 d .
O38 O 0.0897(6) 0.6221(4) 0.4975(4) 0.0280(18) Uani 1 1 d .
O39 O 0.1124(6) 0.7747(4) 0.5909(4) 0.0224(16) Uani 1 1 d .
O40 O 0.2970(6) 0.6954(4) 0.5670(3) 0.0201(15) Uani 1 1 d .
O41 O 0.4244(6) 0.7092(4) 0.4771(3) 0.0242(17) Uani 1 1 d .
O42 O 0.2598(6) 0.7991(4) 0.5172(3) 0.0208(16) Uani 1 1 d .
O43 O 0.4649(6) 0.8612(4) 0.5592(3) 0.0191(15) Uani 1 1 d .
O44 O 0.5015(6) 0.7627(4) 0.6131(3) 0.0194(15) Uani 1 1 d .
O45 O 0.3152(6) 0.8482(4) 0.6404(3) 0.0170(15) Uani 1 1 d .
O46 O 0.0661(6) 0.8630(4) 0.5251(4) 0.0283(18) Uani 1 1 d .
O47 O 0.2644(6) 0.9491(4) 0.5863(3) 0.0202(16) Uani 1 1 d .
O48 O 0.1245(6) 0.9271(4) 0.6629(3) 0.0204(16) Uani 1 1 d .
O49 O 0.0274(6) 1.0500(4) 0.7529(4) 0.0251(17) Uani 1 1 d .
O50 O 0.1930(5) 1.0637(4) 0.6783(3) 0.0183(15) Uani 1 1 d .
O51 O 0.1752(6) 0.9712(4) 0.7946(3) 0.0188(15) Uani 1 1 d .
O52 O 0.2477(6) 1.1076(4) 0.8032(3) 0.0180(15) Uani 1 1 d .
O53 O 0.3355(5) 0.9937(4) 0.7215(3) 0.0165(15) Uani 1 1 d .
O54 O 0.3971(6) 1.0505(4) 0.8574(3) 0.0177(15) Uani 1 1 d .
O55 O 0.4398(6) 1.1991(4) 0.8660(4) 0.0256(17) Uani 1 1 d .
O56 O 0.3927(6) 1.1251(4) 0.7276(3) 0.0214(16) Uani 1 1 d .
O57 O 0.5459(6) 1.0768(4) 0.7897(3) 0.0196(15) Uani 1 1 d .
O58 O 0.7621(6) 1.0598(4) 0.8237(4) 0.0253(17) Uani 1 1 d .
O59 O 0.5789(6) 0.9729(4) 0.8347(3) 0.0189(15) Uani 1 1 d .
O60 O 0.6645(6) 1.0071(4) 0.6921(3) 0.0198(15) Uani 1 1 d .
O61 O 0.3207(6) 1.0954(4) 0.5952(4) 0.0244(17) Uani 1 1 d .
O62 O 0.4706(6) 1.0123(4) 0.6308(3) 0.0203(16) Uani 1 1 d .
O63 O 0.6375(6) 0.9571(4) 0.5532(4) 0.0270(17) Uani 1 1 d .
O64 O 0.6582(6) 0.8625(4) 0.6183(3) 0.0201(15) Uani 1 1 d .
O65 O 0.7135(6) 0.7501(4) 0.6607(4) 0.0257(17) Uani 1 1 d .
O66 O 0.7092(6) 0.9073(4) 0.7439(3) 0.0196(15) Uani 1 1 d .
O67 O 0.5111(6) 0.9186(4) 0.6987(3) 0.0174(15) Uani 1 1 d .
O68 O 0.5537(6) 0.8064(4) 0.7450(3) 0.0182(15) Uani 1 1 d .
O69 O 0.3668(5) 0.8904(4) 0.7709(3) 0.0150(14) Uani 1 1 d .
O70 O 0.4287(5) 0.9442(4) 0.9008(3) 0.0168(15) Uani 1 1 d .
O71 O 0.6227(6) 1.1387(4) 0.9382(4) 0.0219(16) Uani 1 1 d .
O72 O 0.6370(6) 1.0169(4) 0.9750(3) 0.0224(16) Uani 1 1 d .
O73 O 0.6224(5) 0.8611(4) 0.8809(3) 0.0174(15) Uani 1 1 d .
O74 O 0.5474(6) 0.8984(4) 1.0044(3) 0.0222(16) Uani 1 1 d .
O75 O 0.7415(6) 0.8215(4) 0.9752(4) 0.0243(17) Uani 1 1 d .
O76 O 0.8358(6) 0.9424(4) 0.9456(4) 0.0294(18) Uani 1 1 d .
O77 O 0.7598(6) 0.9746(4) 1.0654(3) 0.0183(15) Uani 1 1 d .
O78 O -0.0599(13) 0.7140(9) 0.4351(8) 0.030(4) Uiso 0.50 1 d P
O79 O 0.1829(12) 0.6105(8) 0.3933(7) 0.033(3) Uiso 0.55 1 d P
O80 O 0.355(3) 0.820(2) 0.2707(17) 0.040(9) Uiso 0.25 1 d P
O81' O -0.1622(13) 0.8639(11) 0.4831(9) 0.024(6) Uiso 0.48(3) 1 d P
O81 O -0.1513(15) 0.9089(13) 0.5125(10) 0.042(7) Uiso 0.52(3) 1 d P
O82 O -0.3171(17) 0.7610(12) 0.4896(10) 0.062(6) Uiso 0.60 1 d P
O82' O -0.325(3) 0.7300(18) 0.4931(15) 0.061(8) Uiso 0.40 1 d P
O83 O 1.0249(8) 1.0663(6) 0.9266(5) 0.052(3) Uiso 1 1 d .
O84 O 0.6487(12) 0.6424(8) 0.8940(7) 0.034(4) Uiso 0.55 1 d P
O85' O 0.701(3) 1.229(2) 0.8838(19) 0.063(10) Uiso 0.30 1 d P
O85 O 0.778(2) 1.2431(13) 0.9313(12) 0.069(6) Uiso 0.50 1 d P
O86 O 0.671(2) 0.7049(15) 0.3495(13) 0.072(7) Uiso 0.45 1 d P
O86' O 0.759(3) 0.7440(18) 0.3618(15) 0.075(9) Uiso 0.40 1 d P
O87 O 0.5101(7) 0.8153(5) 0.4201(4) 0.040(2) Uiso 1 1 d .
O88 O 0.430(3) 0.6643(17) 0.3276(15) 0.076(9) Uiso 0.40 1 d P
O89' O 0.108(3) 0.929(2) 0.446(2) 0.070(11) Uiso 0.30 1 d P
O89 O 0.1697(15) 0.9777(11) 0.4730(9) 0.078(5) Uiso 0.70 1 d P
O90 O 0.783(2) 0.5252(15) 0.9528(13) 0.073(7) Uiso 0.45 1 d P
O91 O 0.587(2) 0.5958(16) 0.4305(14) 0.076(8) Uiso 0.45 1 d P
O92 O -0.132(3) 0.8037(19) 0.3666(16) 0.067(9) Uiso 0.35 1 d P
O93 O 0.1866(11) 0.8086(8) 0.3131(7) 0.041(3) Uiso 0.65 1 d P
O93' O 0.1268(15) 0.8650(10) 0.3724(9) 0.034(4) Uiso 0.45 1 d P
O94 O 0.3306(12) 0.5385(8) 0.4805(7) 0.067(4) Uiso 0.80 1 d P
O95 O 0.179(2) 0.2288(13) 0.7587(12) 0.068(6) Uiso 0.50 1 d P
O95' O 0.264(5) 0.249(3) 0.752(3) 0.065(15) Uiso 0.20 1 d P
O96' O 0.862(2) 1.0461(17) 0.6583(15) 0.005(6) Uiso 0.20 1 d P
O96 O 0.8509(17) 1.0822(12) 0.6837(10) 0.069(6) Uiso 0.60 1 d P
O97 O 0.505(5) 0.490(3) 0.977(2) 0.053(14) Uiso 0.20 1 d P
O98 O -0.039(3) 0.9541(19) 0.4291(17) 0.072(9) Uiso 0.35 1 d P
O99 O 0.741(3) 0.6536(18) 1.0349(16) 0.074(9) Uiso 0.40 1 d P
O99' O 0.666(5) 0.652(3) 1.038(2) 0.073(14) Uiso 0.25 1 d P
O100 O 1.007(3) 1.256(2) 0.8151(18) 0.079(10) Uiso 0.35 1 d P
O101 O 0.150(3) 0.751(2) 0.3911(17) 0.075(10) Uiso 0.35 1 d P
O102 O 0.505(3) 0.5778(19) 0.5558(17) 0.069(9) Uiso 0.35 1 d P
O103 O 0.6222(16) 0.6045(11) 0.6842(10) 0.051(5) Uiso 0.50 1 d P
O104 O 0.167(4) 0.662(2) 0.225(2) 0.041(11) Uiso 0.20 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
K K 0.2009 0.2494 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 W1 O2 102.1(3) . .
O1 W1 O3 101.8(3) . .
O2 W1 O3 94.0(3) . .
O1 W1 O5 95.8(3) . .
O2 W1 O5 95.0(3) . .
O3 W1 O5 158.1(3) . .
O1 W1 O6 88.4(3) . .
O2 W1 O6 169.5(3) . .
O3 W1 O6 84.3(3) . .
O5 W1 O6 83.2(3) . .
O1 W1 O4 166.3(3) . .
O2 W1 O4 88.5(3) . .
O3 W1 O4 85.9(3) . .
O5 W1 O4 74.4(3) . .
O6 W1 O4 81.0(3) . .
O1 W1 K1' 75.9(3) . .
O2 W1 K1' 60.7(3) . .
O3 W1 K1' 48.7(3) . .
O5 W1 K1' 150.8(2) . .
O6 W1 K1' 123.8(2) . .
O4 W1 K1' 117.3(2) . .
O1 W1 K9 42.1(4) . 2_677
O2 W1 K9 144.0(3) . 2_677
O3 W1 K9 97.4(3) . 2_677
O5 W1 K9 86.8(3) . 2_677
O6 W1 K9 46.4(3) . 2_677
O4 W1 K9 126.2(3) . 2_677
K1' W1 K9 103.6(3) . 2_677
O1 W1 K1 114.2(3) . .
O2 W1 K1 48.9(2) . .
O3 W1 K1 45.8(2) . .
O5 W1 K1 135.7(2) . .
O6 W1 K1 127.1(2) . .
O4 W1 K1 79.33(19) . .
K1' W1 K1 38.62(14) . .
K9 W1 K1 137.2(3) 2_677 .
O8 W2 O7 101.9(3) . .
O8 W2 O9 102.6(3) . .
O7 W2 O9 94.7(3) . .
O8 W2 O5 97.6(4) . .
O7 W2 O5 94.0(3) . .
O9 W2 O5 155.8(3) . .
O8 W2 O10 90.6(3) . .
O7 W2 O10 167.3(3) . .
O9 W2 O10 83.8(3) . .
O5 W2 O10 82.7(3) . .
O8 W2 O4 168.0(3) . .
O7 W2 O4 87.1(3) . .
O9 W2 O4 84.3(3) . .
O5 W2 O4 73.7(3) . .
O10 W2 O4 80.3(3) . .
O8 W2 K2 111.7(3) . .
O7 W2 K2 50.1(2) . .
O9 W2 K2 44.9(2) . .
O5 W2 K2 136.5(2) . .
O10 W2 K2 126.4(2) . .
O4 W2 K2 80.10(19) . .
O12 W3 O6 105.1(4) . .
O12 W3 O15 100.5(4) . .
O6 W3 O15 93.2(3) . .
O12 W3 O13 97.1(4) . .
O6 W3 O13 85.9(3) . .
O15 W3 O13 162.0(3) . .
O12 W3 O14 99.8(4) . .
O6 W3 O14 154.1(3) . .
O15 W3 O14 89.0(3) . .
O13 W3 O14 84.1(3) . .
O12 W3 O11 169.5(3) . .
O6 W3 O11 82.7(3) . .
O15 W3 O11 85.8(3) . .
O13 W3 O11 76.2(3) . .
O14 W3 O11 71.7(3) . .
O12 W3 K9 53.6(3) . 2_677
O6 W3 K9 53.8(3) . 2_677
O15 W3 K9 114.5(4) . 2_677
O13 W3 K9 79.3(4) . 2_677
O14 W3 K9 145.8(3) . 2_677
O11 W3 K9 131.2(3) . 2_677
O12 W3 K14 67.2(6) . .
O6 W3 K14 159.3(5) . .
O15 W3 K14 70.4(5) . .
O13 W3 K14 113.6(5) . .
O14 W3 K14 42.2(5) . .
O11 W3 K14 107.7(5) . .
K9 W3 K14 120.7(5) 2_677 .
O12 W3 K12 69.6(4) . .
O6 W3 K12 136.1(4) . .
O15 W3 K12 130.6(4) . .
O13 W3 K12 53.2(4) . .
O14 W3 K12 48.6(4) . .
O11 W3 K12 99.8(4) . .
K9 W3 K12 98.2(4) 2_677 .
K14 W3 K12 61.1(6) . .
O12 W3 K8' 65.1(8) . .
O6 W3 K8' 82.9(7) . .
O15 W3 K8' 163.2(8) . .
O13 W3 K8' 34.4(8) . .
O14 W3 K8' 101.6(7) . .
O11 W3 K8' 109.8(8) . .
K9 W3 K8' 50.5(8) 2_677 .
K14 W3 K8' 109.0(8) . .
K12 W3 K8' 54.7(8) . .
O17 W4 O10 105.0(3) . .
O17 W4 O15 99.8(4) . .
O10 W4 O15 93.1(3) . .
O17 W4 O19 98.6(4) . .
O10 W4 O19 87.2(3) . .
O15 W4 O19 160.9(3) . .
O17 W4 O18 100.5(3) . .
O10 W4 O18 154.0(3) . .
O15 W4 O18 87.1(3) . .
O19 W4 O18 84.5(3) . .
O17 W4 O16 170.6(3) . .
O10 W4 O16 82.9(3) . .
O15 W4 O16 84.7(3) . .
O19 W4 O16 76.3(3) . .
O18 W4 O16 71.3(3) . .
O20 W5 O21 102.8(3) . .
O20 W5 O9 103.0(3) . .
O21 W5 O9 91.6(3) . .
O20 W5 O22 100.2(3) . .
O21 W5 O22 88.4(3) . .
O9 W5 O22 156.2(3) . .
O20 W5 O19 100.6(3) . .
O21 W5 O19 156.2(3) . .
O9 W5 O19 86.8(3) . .
O22 W5 O19 83.8(3) . .
O20 W5 O16 174.5(3) . .
O21 W5 O16 81.2(3) . .
O9 W5 O16 80.5(3) . .
O22 W5 O16 76.0(3) . .
O19 W5 O16 75.1(3) . .
O20 W5 K1' 53.9(3) . 1_455
O21 W5 K1' 93.2(2) . 1_455
O9 W5 K1' 156.8(2) . 1_455
O22 W5 K1' 46.7(3) . 1_455
O19 W5 K1' 97.6(3) . 1_455
O16 W5 K1' 122.6(2) . 1_455
O20 W5 K2 81.9(3) . .
O21 W5 K2 51.1(2) . .
O9 W5 K2 51.8(2) . .
O22 W5 K2 138.1(2) . .
O19 W5 K2 137.4(2) . .
O16 W5 K2 103.66(19) . .
K1' W5 K2 116.53(16) 1_455 .
O20 W5 K5 49.2(3) . 1_455
O21 W5 K5 90.0(2) . 1_455
O9 W5 K5 55.8(2) . 1_455
O22 W5 K5 147.9(3) . 1_455
O19 W5 K5 108.3(2) . 1_455
O16 W5 K5 135.3(2) . 1_455
K1' W5 K5 101.53(17) 1_455 1_455
K2 W5 K5 43.17(15) . 1_455
O23 W6 O13 102.1(4) . .
O23 W6 O25 102.8(4) . .
O13 W6 O25 86.1(3) . .
O23 W6 O3 101.5(3) . .
O13 W6 O3 87.6(3) . .
O25 W6 O3 155.6(3) . .
O23 W6 O24 101.8(3) . .
O13 W6 O24 156.0(3) . .
O25 W6 O24 86.9(3) . .
O3 W6 O24 89.3(3) . .
O23 W6 O11 177.2(3) . .
O13 W6 O11 75.4(3) . .
O25 W6 O11 75.8(3) . .
O3 W6 O11 79.8(3) . .
O24 W6 O11 80.6(3) . .
O23 W6 K8 47.9(3) . .
O13 W6 K8 54.3(3) . .
O25 W6 K8 99.8(3) . .
O3 W6 K8 95.5(3) . .
O24 W6 K8 149.8(3) . .
O11 W6 K8 129.6(2) . .
O23 W6 K1' 60.8(3) . .
O13 W6 K1' 107.0(3) . .
O25 W6 K1' 160.4(3) . .
O3 W6 K1' 42.6(2) . .
O24 W6 K1' 86.3(2) . .
O11 W6 K1' 121.0(2) . .
K8 W6 K1' 77.6(2) . .
O23 W6 K1 82.2(3) . .
O13 W6 K1 138.3(2) . .
O25 W6 K1 133.9(2) . .
O3 W6 K1 51.4(2) . .
O24 W6 K1 47.9(2) . .
O11 W6 K1 100.58(18) . .
K8 W6 K1 115.33(17) . .
K1' W6 K1 39.17(13) . .
O23 W6 K8' 66.5(8) . .
O13 W6 K8' 36.8(8) . .
O25 W6 K8' 102.2(7) . .
O3 W6 K8' 86.4(7) . .
O24 W6 K8' 166.4(8) . .
O11 W6 K8' 111.3(8) . .
K8 W6 K8' 19.2(7) . .
K1' W6 K8' 81.9(7) . .
K1 W6 K8' 120.9(7) . .
O27 W7 O26 104.1(3) . .
O27 W7 O28 99.6(3) . .
O26 W7 O28 92.8(3) . .
O27 W7 O14 101.0(3) . .
O26 W7 O14 154.0(3) . .
O28 W7 O14 89.7(3) . .
O27 W7 O25 98.4(3) . .
O26 W7 O25 84.6(3) . .
O28 W7 O25 161.8(3) . .
O14 W7 O25 85.0(3) . .
O27 W7 O11 171.2(3) . .
O26 W7 O11 82.7(3) . .
O28 W7 O11 85.4(3) . .
O14 W7 O11 71.7(3) . .
O25 W7 O11 76.5(3) . .
O27 W7 K12 75.3(4) . .
O26 W7 K12 137.3(4) . .
O28 W7 K12 129.9(4) . .
O14 W7 K12 45.0(4) . .
O25 W7 K12 54.1(4) . .
O11 W7 K12 95.9(4) . .
O27 W7 K14 74.9(5) . .
O26 W7 K14 164.5(5) . .
O28 W7 K14 72.3(5) . .
O14 W7 K14 34.6(5) . .
O25 W7 K14 110.9(5) . .
O11 W7 K14 100.0(5) . .
K12 W7 K14 58.0(6) . .
O29 W8 O30 103.6(3) . .
O29 W8 O18 101.9(3) . .
O30 W8 O18 153.9(3) . .
O29 W8 O28 100.1(3) . .
O30 W8 O28 90.1(3) . .
O18 W8 O28 90.8(3) . .
O29 W8 O22 98.5(3) . .
O30 W8 O22 85.4(3) . .
O18 W8 O22 85.5(3) . .
O28 W8 O22 161.4(3) . .
O29 W8 O16 171.8(3) . .
O30 W8 O16 82.2(3) . .
O18 W8 O16 71.9(3) . .
O28 W8 O16 85.6(3) . .
O22 W8 O16 76.0(3) . .
O29 W8 K4 36.1(3) . 2_566
O30 W8 K4 69.3(2) . 2_566
O18 W8 K4 134.0(2) . 2_566
O28 W8 K4 110.0(2) . 2_566
O22 W8 K4 85.2(2) . 2_566
O16 W8 K4 146.9(2) . 2_566
O31 W9 O33 100.6(3) . .
O31 W9 O34 99.4(3) . .
O33 W9 O34 93.2(3) . .
O31 W9 O21 100.8(3) . .
O33 W9 O21 89.9(3) . .
O34 W9 O21 158.6(3) . .
O31 W9 O30 95.6(3) . .
O33 W9 O30 163.8(3) . .
O34 W9 O30 86.1(3) . .
O21 W9 O30 85.2(3) . .
O31 W9 O32 173.0(3) . .
O33 W9 O32 83.5(3) . .
O34 W9 O32 74.6(3) . .
O21 W9 O32 84.8(3) . .
O30 W9 O32 80.6(3) . .
O31 W9 K3' 52.3(3) . .
O33 W9 K3' 49.7(3) . .
O34 W9 K3' 109.8(3) . .
O21 W9 K3' 88.2(3) . .
O30 W9 K3' 145.2(3) . .
O32 W9 K3' 132.7(3) . .
O31 W9 K3 58.4(3) . .
O33 W9 K3 43.0(2) . .
O34 W9 K3 106.6(2) . .
O21 W9 K3 90.0(2) . .
O30 W9 K3 152.1(2) . .
O32 W9 K3 126.3(2) . .
K3' W9 K3 6.9(2) . .
O31 W9 K2 105.9(3) . .
O33 W9 K2 46.9(2) . .
O34 W9 K2 135.4(2) . .
O21 W9 K2 43.0(2) . .
O30 W9 K2 126.2(2) . .
O32 W9 K2 80.98(19) . .
K3' W9 K2 63.0(3) . .
K3 W9 K2 60.63(14) . .
O36 W10 O35 102.2(3) . .
O36 W10 O24 100.6(3) . .
O35 W10 O24 92.7(3) . .
O36 W10 O34 97.8(3) . .
O35 W10 O34 92.2(3) . .
O24 W10 O34 159.5(3) . .
O36 W10 O26 93.8(3) . .
O35 W10 O26 164.0(3) . .
O24 W10 O26 85.5(3) . .
O34 W10 O26 84.3(3) . .
O36 W10 O32 170.6(3) . .
O35 W10 O32 83.4(3) . .
O24 W10 O32 86.6(3) . .
O34 W10 O32 74.2(3) . .
O26 W10 O32 80.6(3) . .
O36 W10 K1 107.0(3) . .
O35 W10 K1 46.3(2) . .
O24 W10 K1 46.4(2) . .
O34 W10 K1 134.7(2) . .
O26 W10 K1 129.6(2) . .
O32 W10 K1 82.39(19) . .
O41 W11 O40 102.2(3) . .
O41 W11 O42 97.5(3) . .
O40 W11 O42 93.3(3) . .
O41 W11 O44 100.7(3) . .
O40 W11 O44 91.7(3) . .
O42 W11 O44 159.6(3) . .
O41 W11 O43 93.7(3) . .
O40 W11 O43 164.1(3) . .
O42 W11 O43 84.7(3) . .
O44 W11 O43 85.1(3) . .
O41 W11 O45 170.1(3) . .
O40 W11 O45 83.5(3) . .
O42 W11 O45 73.9(3) . .
O44 W11 O45 87.1(3) . .
O43 W11 O45 80.8(3) . .
O41 W11 K1 109.1(3) . .
O40 W11 K1 46.3(2) . .
O42 W11 K1 134.6(2) . .
O44 W11 K1 45.6(2) . .
O43 W11 K1 127.7(2) . .
O45 W11 K1 80.69(18) . .
O41 W11 K13 79.8(3) . .
O40 W11 K13 136.9(3) . .
O42 W11 K13 44.5(3) . .
O44 W11 K13 130.7(3) . .
O43 W11 K13 46.1(3) . .
O45 W11 K13 90.5(3) . .
K1 W11 K13 170.4(2) . .
O46 W12 O39 101.2(4) . .
O46 W12 O48 100.3(3) . .
O39 W12 O48 93.5(3) . .
O46 W12 O42 97.5(3) . .
O39 W12 O42 92.8(3) . .
O48 W12 O42 159.5(3) . .
O46 W12 O47 94.5(3) . .
O39 W12 O47 164.3(3) . .
O48 W12 O47 84.5(3) . .
O42 W12 O47 84.2(3) . .
O46 W12 O45 170.5(3) . .
O39 W12 O45 84.0(3) . .
O48 W12 O45 87.2(3) . .
O42 W12 O45 74.2(3) . .
O47 W12 O45 80.4(3) . .
O46 W12 K10 63.1(4) . 1_455
O39 W12 K10 65.8(3) . 1_455
O48 W12 K10 54.0(3) . 1_455
O42 W12 K10 145.3(3) . 1_455
O47 W12 K10 123.6(3) . 1_455
O45 W12 K10 126.3(3) . 1_455
O46 W12 K13 78.2(4) . .
O39 W12 K13 137.8(3) . .
O48 W12 K13 128.4(3) . .
O42 W12 K13 46.5(3) . .
O47 W12 K13 44.9(3) . .
O45 W12 K13 92.6(3) . .
K10 W12 K13 139.5(3) 1_455 .
O46 W12 K2 107.7(3) . .
O39 W12 K2 47.7(2) . .
O48 W12 K2 45.9(2) . .
O42 W12 K2 135.8(2) . .
O47 W12 K2 127.8(2) . .
O45 W12 K2 81.64(19) . .
K10 W12 K2 45.0(3) 1_455 .
K13 W12 K2 171.9(2) . .
O49 W13 O51 103.4(3) . .
O49 W13 O48 102.7(3) . .
O51 W13 O48 92.6(3) . .
O49 W13 O52 101.7(3) . .
O51 W13 O52 91.0(3) . .
O48 W13 O52 153.7(3) . .
O49 W13 O50 99.4(3) . .
O51 W13 O50 157.1(3) . .
O48 W13 O50 84.6(3) . .
O52 W13 O50 82.0(3) . .
O49 W13 O53 172.3(3) . .
O51 W13 O53 83.1(3) . .
O48 W13 O53 80.9(3) . .
O52 W13 O53 73.7(3) . .
O50 W13 O53 74.0(3) . .
O49 W13 K2 84.4(3) . .
O51 W13 K2 48.4(2) . .
O48 W13 K2 53.9(2) . .
O52 W13 K2 138.9(2) . .
O50 W13 K2 137.7(2) . .
O53 W13 K2 103.21(18) . .
O49 W13 K11 72.3(3) . 2_677
O51 W13 K11 80.7(3) . 2_677
O48 W13 K11 170.2(3) . 2_677
O52 W13 K11 34.6(3) . 2_677
O50 W13 K11 104.4(3) . 2_677
O53 W13 K11 105.1(2) . 2_677
K2 W13 K11 116.6(2) . 2_677
O55 W14 O54 104.0(3) . .
O55 W14 O57 100.5(3) . .
O54 W14 O57 88.6(3) . .
O55 W14 O56 100.3(3) . .
O54 W14 O56 155.7(3) . .
O57 W14 O56 88.6(3) . .
O55 W14 O52 98.0(3) . .
O54 W14 O52 87.8(3) . .
O57 W14 O52 161.5(3) . .
O56 W14 O52 87.2(3) . .
O55 W14 O53 170.4(3) . .
O54 W14 O53 82.2(3) . .
O57 W14 O53 86.9(3) . .
O56 W14 O53 73.5(3) . .
O52 W14 O53 74.7(3) . .
O55 W14 K11 63.4(3) . 2_677
O54 W14 K11 78.2(3) . 2_677
O57 W14 K11 155.3(3) . 2_677
O56 W14 K11 111.8(3) . 2_677
O52 W14 K11 40.0(3) . 2_677
O53 W14 K11 111.6(3) . 2_677
O55 W14 K15 59.4(7) . .
O54 W14 K15 162.9(7) . .
O57 W14 K15 90.6(7) . .
O56 W14 K15 41.3(7) . .
O52 W14 K15 98.0(7) . .
O53 W14 K15 114.8(6) . .
K11 W14 K15 95.8(6) 2_677 .
O58 W15 O59 104.1(3) . .
O58 W15 O66 98.7(3) . .
O59 W15 O66 88.6(3) . .
O58 W15 O57 100.0(3) . .
O59 W15 O57 87.4(3) . .
O66 W15 O57 161.4(3) . .
O58 W15 O60 100.1(3) . .
O59 W15 O60 155.8(3) . .
O66 W15 O60 88.6(3) . .
O57 W15 O60 87.6(3) . .
O58 W15 O67 171.4(3) . .
O59 W15 O67 82.8(3) . .
O66 W15 O67 76.0(3) . .
O57 W15 O67 85.4(3) . .
O60 W15 O67 73.1(3) . .
O58 W15 K5 55.1(3) . .
O59 W15 K5 86.9(2) . .
O66 W15 K5 45.8(2) . .
O57 W15 K5 151.8(2) . .
O60 W15 K5 108.0(2) . .
O67 W15 K5 121.1(2) . .
O61 W16 O47 104.4(3) . .
O61 W16 O50 99.6(3) . .
O47 W16 O50 88.0(3) . .
O61 W16 O62 100.3(3) . .
O47 W16 O62 91.1(3) . .
O50 W16 O62 159.6(3) . .
O61 W16 O56 99.5(3) . .
O47 W16 O56 155.9(3) . .
O50 W16 O56 85.2(3) . .
O62 W16 O56 87.4(3) . .
O61 W16 O53 171.0(3) . .
O47 W16 O53 83.5(3) . .
O50 W16 O53 75.9(3) . .
O62 W16 O53 83.8(3) . .
O56 W16 O53 72.5(3) . .
O61 W16 K13 72.1(3) . .
O47 W16 K13 43.9(3) . .
O50 W16 K13 121.9(3) . .
O62 W16 K13 68.8(3) . .
O56 W16 K13 152.2(3) . .
O53 W16 K13 117.0(3) . .
O65 W17 O68 104.9(3) . .
O65 W17 O44 101.1(3) . .
O68 W17 O44 92.7(3) . .
O65 W17 O66 102.6(3) . .
O68 W17 O66 90.6(3) . .
O44 W17 O66 154.4(3) . .
O65 W17 O64 98.6(3) . .
O68 W17 O64 156.4(3) . .
O44 W17 O64 85.0(3) . .
O66 W17 O64 81.9(3) . .
O65 W17 O67 171.6(3) . .
O68 W17 O67 82.8(3) . .
O44 W17 O67 81.5(3) . .
O66 W17 O67 73.6(3) . .
O64 W17 O67 73.6(3) . .
O65 W17 K1 85.1(3) . .
O68 W17 K1 48.8(2) . .
O44 W17 K1 53.1(2) . .
O66 W17 K1 138.8(2) . .
O64 W17 K1 137.6(2) . .
O67 W17 K1 102.69(18) . .
O65 W17 K10 63.2(4) . .
O68 W17 K10 146.8(3) . .
O44 W17 K10 119.4(3) . .
O66 W17 K10 64.5(3) . .
O64 W17 K10 46.4(3) . .
O67 W17 K10 108.5(3) . .
K1 W17 K10 146.4(2) . .
O65 W17 K1' 66.5(3) . .
O68 W17 K1' 39.7(2) . .
O44 W17 K1' 90.7(2) . .
O66 W17 K1' 107.7(2) . .
O64 W17 K1' 163.3(2) . .
O67 W17 K1' 121.7(2) . .
K1 W17 K1' 38.55(13) . .
K10 W17 K1' 124.8(3) . .
O63 W18 O43 103.2(3) . .
O63 W18 O62 101.0(3) . .
O43 W18 O62 92.0(3) . .
O63 W18 O64 98.9(3) . .
O43 W18 O64 87.4(3) . .
O62 W18 O64 159.7(3) . .
O63 W18 O60 100.0(3) . .
O43 W18 O60 156.3(3) . .
O62 W18 O60 88.3(3) . .
O64 W18 O60 84.3(3) . .
O63 W18 O67 171.0(3) . .
O43 W18 O67 84.1(3) . .
O62 W18 O67 83.8(3) . .
O64 W18 O67 75.9(3) . .
O60 W18 O67 72.4(3) . .
O63 W18 K13 34.5(3) . 2_676
O43 W18 K13 118.4(3) . 2_676
O62 W18 K13 70.2(3) . 2_676
O64 W18 K13 127.4(3) . 2_676
O60 W18 K13 83.8(3) . 2_676
O67 W18 K13 145.3(3) . 2_676
O63 W18 K13 73.3(3) . .
O43 W18 K13 44.7(3) . .
O62 W18 K13 66.4(3) . .
O64 W18 K13 124.2(3) . .
O60 W18 K13 151.2(3) . .
O67 W18 K13 115.7(3) . .
K13 W18 K13 75.1(4) 2_676 .
O68 Fe1 O73 92.3(3) . .
O68 Fe1 O2 93.3(3) . .
O73 Fe1 O2 94.1(3) . .
O68 Fe1 O70 170.7(3) . .
O73 Fe1 O70 95.2(3) . .
O2 Fe1 O70 91.7(3) . .
O68 Fe1 O69 91.5(3) . .
O73 Fe1 O69 173.6(3) . .
O2 Fe1 O69 90.8(3) . .
O70 Fe1 O69 80.5(3) . .
O68 Fe1 O59 95.7(3) . .
O73 Fe1 O59 87.3(3) . .
O2 Fe1 O59 170.8(3) . .
O70 Fe1 O59 79.2(3) . .
O69 Fe1 O59 87.2(3) . .
O68 Fe1 K1' 48.9(2) . .
O73 Fe1 K1' 66.9(2) . .
O2 Fe1 K1' 56.2(2) . .
O70 Fe1 K1' 139.7(2) . .
O69 Fe1 K1' 119.4(2) . .
O59 Fe1 K1' 132.1(2) . .
O51 Fe2 O77 95.6(3) . 2_677
O51 Fe2 O7 92.0(3) . .
O77 Fe2 O7 92.1(3) 2_677 .
O51 Fe2 O70 170.5(3) . .
O77 Fe2 O70 92.4(3) 2_677 .
O7 Fe2 O70 92.7(3) . .
O51 Fe2 O69 91.9(3) . .
O77 Fe2 O69 171.9(3) 2_677 .
O7 Fe2 O69 90.8(3) . .
O70 Fe2 O69 79.8(3) . .
O51 Fe2 O54 95.7(3) . .
O77 Fe2 O54 89.5(3) 2_677 .
O7 Fe2 O54 172.0(3) . .
O70 Fe2 O54 79.3(3) . .
O69 Fe2 O54 86.6(3) . .
O74 Fe3 O72 92.6(3) 2_677 .
O74 Fe3 O59 173.3(3) 2_677 .
O72 Fe3 O59 92.3(3) . .
O74 Fe3 O70 93.3(3) 2_677 .
O72 Fe3 O70 91.5(3) . .
O59 Fe3 O70 82.1(3) . .
O74 Fe3 O54 89.3(3) 2_677 .
O72 Fe3 O54 172.3(3) . .
O59 Fe3 O54 85.3(3) . .
O70 Fe3 O54 81.0(3) . .
O74 Fe3 O71 86.9(3) 2_677 .
O72 Fe3 O71 87.7(3) . .
O59 Fe3 O71 97.8(3) . .
O70 Fe3 O71 179.1(3) . .
O54 Fe3 O71 99.9(3) . .
O73 Fe4 O74 91.2(3) . .
O73 Fe4 O77 173.6(3) . .
O74 Fe4 O77 93.1(3) . .
O73 Fe4 O72 93.5(3) . .
O74 Fe4 O72 91.8(3) . .
O77 Fe4 O72 91.0(3) . .
O73 Fe4 O75 88.4(3) . .
O74 Fe4 O75 90.5(3) . .
O77 Fe4 O75 86.9(3) . .
O72 Fe4 O75 177.0(3) . .
O73 Fe4 O76 91.1(3) . .
O74 Fe4 O76 176.4(3) . .
O77 Fe4 O76 84.4(3) . .
O72 Fe4 O76 90.8(3) . .
O75 Fe4 O76 86.8(3) . .
O40 Fe5 O39 91.3(3) . .
O40 Fe5 O33 177.6(3) . .
O39 Fe5 O33 89.5(3) . .
O40 Fe5 O35 88.5(3) . .
O39 Fe5 O35 178.9(3) . .
O33 Fe5 O35 90.6(3) . .
O40 Fe5 O38 89.1(3) . .
O39 Fe5 O38 88.3(3) . .
O33 Fe5 O38 88.6(3) . .
O35 Fe5 O38 90.6(3) . .
O40 Fe5 O37 91.6(3) . .
O39 Fe5 O37 91.4(3) . .
O33 Fe5 O37 90.7(3) . .
O35 Fe5 O37 89.6(3) . .
O38 Fe5 O37 179.2(3) . .
O40 Fe5 K3 132.7(3) . .
O39 Fe5 K3 54.4(3) . .
O33 Fe5 K3 46.6(3) . .
O35 Fe5 K3 125.1(3) . .
O38 Fe5 K3 61.6(3) . .
O37 Fe5 K3 117.7(2) . .
O40 Fe5 K1 56.1(2) . .
O39 Fe5 K1 126.6(2) . .
O33 Fe5 K1 125.0(2) . .
O35 Fe5 K1 54.0(2) . .
O38 Fe5 K1 126.7(2) . .
O37 Fe5 K1 54.0(2) . .
K3 Fe5 K1 170.24(17) . .
O40 Fe5 K2 127.1(2) . .
O39 Fe5 K2 56.2(2) . .
O33 Fe5 K2 55.2(2) . .
O35 Fe5 K2 124.6(2) . .
O38 Fe5 K2 125.3(3) . .
O37 Fe5 K2 54.0(2) . .
K3 Fe5 K2 63.88(16) . .
K1 Fe5 K2 107.92(12) . .
O40 Fe5 K3' 137.3(3) . .
O39 Fe5 K3' 58.1(3) . .
O33 Fe5 K3' 41.9(3) . .
O35 Fe5 K3' 121.5(3) . .
O38 Fe5 K3' 63.3(3) . .
O37 Fe5 K3' 116.0(3) . .
K3 Fe5 K3' 4.7(3) . .
K1 Fe5 K3' 166.3(2) . .
K2 Fe5 K3' 62.7(3) . .
O82' Fe6 O82 17.8(9) 1_655 1_655
O82' Fe6 O86 91.7(12) 1_655 .
O82 Fe6 O86 84.4(10) 1_655 .
O82' Fe6 O87 106.5(10) 1_655 .
O82 Fe6 O87 90.3(7) 1_655 .
O86 Fe6 O87 90.2(8) . .
O82' Fe6 O88 171.4(13) 1_655 .
O82 Fe6 O88 168.4(11) 1_655 .
O86 Fe6 O88 86.9(11) . .
O87 Fe6 O88 82.1(9) . .
O82' Fe6 O41 92.2(10) 1_655 .
O82 Fe6 O41 99.0(7) 1_655 .
O86 Fe6 O41 176.0(9) . .
O87 Fe6 O41 87.5(4) . .
O88 Fe6 O41 89.5(9) . .
O82' Fe6 O91 68.6(12) 1_655 .
O82 Fe6 O91 85.9(10) 1_655 .
O86 Fe6 O91 100.3(10) . .
O87 Fe6 O91 168.4(8) . .
O88 Fe6 O91 103.3(11) . .
O41 Fe6 O91 82.2(8) . .
O82' Fe6 K4 123.2(10) 1_655 .
O82 Fe6 K4 140.8(7) 1_655 .
O86 Fe6 K4 113.9(8) . .
O87 Fe6 K4 122.2(4) . .
O88 Fe6 K4 50.4(8) . .
O41 Fe6 K4 64.7(3) . .
O91 Fe6 K4 57.8(7) . .
O82' Fe6 K15 135.1(12) 1_655 2_676
O82 Fe6 K15 121.8(9) 1_655 2_676
O86 Fe6 K15 46.5(10) . 2_676
O87 Fe6 K15 65.7(7) . 2_676
O88 Fe6 K15 46.9(10) . 2_676
O41 Fe6 K15 129.5(7) . 2_676
O91 Fe6 K15 125.4(10) . 2_676
K4 Fe6 K15 93.4(7) . 2_676
O97 Fe7 O90 152(2) 2_667 2_667
O97 Fe7 K8' 63(2) 2_667 2_667
O90 Fe7 K8' 97(2) 2_667 2_667
O97 Fe7 O12 105.4(19) 2_667 .
O90 Fe7 O12 91.4(12) 2_667 .
K8' Fe7 O12 168(2) 2_667 .
O97 Fe7 O97 21(3) 2_667 .
O90 Fe7 O97 144.8(19) 2_667 .
K8' Fe7 O97 80(2) 2_667 .
O12 Fe7 O97 88.3(15) . .
O97 Fe7 K8 88.3(17) 2_667 2_667
O90 Fe7 K8 82.8(11) 2_667 2_667
K8' Fe7 K8 32.4(16) 2_667 2_667
O12 Fe7 K8 158.6(11) . 2_667
O97 Fe7 K8 108.2(15) . 2_667
O97 Fe7 K9 68.2(19) 2_667 2_677
O90 Fe7 K9 139.2(13) 2_667 2_677
K8' Fe7 K9 115.8(17) 2_667 2_677
O12 Fe7 K9 60.4(6) . 2_677
O97 Fe7 K9 68.7(15) . 2_677
K8 Fe7 K9 112.3(8) 2_667 2_677
O97 Fe7 K8' 38.0(17) 2_667 .
O90 Fe7 K8' 145.7(14) 2_667 .
K8' Fe7 K8' 100.4(18) 2_667 .
O12 Fe7 K8' 67.9(9) . .
O97 Fe7 K8' 21.5(15) . .
K8 Fe7 K8' 125.9(11) 2_667 .
K9 Fe7 K8' 53.2(8) 2_677 .
Fe8 Fe8' O98 96.1(19) . .
Fe8 Fe8' O89' 90(2) . .
O98 Fe8' O89' 77(2) . .
Fe8 Fe8' O46 78.6(13) . .
O98 Fe8' O46 171.2(19) . .
O89' Fe8' O46 96.2(18) . .
Fe8 Fe8' O81 92.1(15) . .
O98 Fe8' O81 96.7(17) . .
O89' Fe8' O81 173(2) . .
O46 Fe8' O81 90.5(10) . .
Fe8 Fe8' O81' 70.3(13) . .
O98 Fe8' O81' 98.3(17) . .
O89' Fe8' O81' 159(2) . .
O46 Fe8' O81' 86.5(9) . .
O81 Fe8' O81' 21.8(6) . .
Fe8 Fe8' O89 112.2(16) . .
O98 Fe8' O89 81.4(16) . .
O89' Fe8' O89 23.5(15) . .
O46 Fe8' O89 94.1(9) . .
O81 Fe8' O89 155.6(13) . .
O81' Fe8' O89 177.5(13) . .
Fe8 Fe8' Fe8' 154.1(18) . 2_576
O98 Fe8' Fe8' 58.1(15) . 2_576
O89' Fe8' Fe8' 85.1(18) . 2_576
O46 Fe8' Fe8' 127.1(13) . 2_576
O81 Fe8' Fe8' 90.6(12) . 2_576
O81' Fe8' Fe8' 110.0(12) . 2_576
O89 Fe8' Fe8' 67.7(9) . 2_576
Fe8' Fe8 O92 126(2) . .
Fe8' Fe8 O89' 49.2(15) . .
O92 Fe8 O89' 131.2(19) . .
Fe8' Fe8 O46 62.4(12) . .
O92 Fe8 O46 150.8(17) . .
O89' Fe8 O46 76.8(13) . .
Fe8' Fe8 O98 45.1(13) . .
O92 Fe8 O98 88.5(16) . .
O89' Fe8 O98 54.1(15) . .
O46 Fe8 O98 107.2(13) . .
Fe8' Fe8 O81' 73.8(14) . .
O92 Fe8 O81' 74.5(14) . .
O89' Fe8 O81' 122.6(16) . .
O46 Fe8 O81' 82.9(9) . .
O98 Fe8 O81' 83.2(13) . .
Fe8' Fe8 O93' 90.8(14) . .
O92 Fe8 O93' 104.8(15) . .
O89' Fe8 O93' 42.3(12) . .
O46 Fe8 O93' 103.0(10) . .
O98 Fe8 O93' 75.7(12) . .
O81' Fe8 O93' 158.9(12) . .
O32 Si1 O4 110.7(4) . .
O32 Si1 O11 108.5(4) . .
O4 Si1 O11 110.5(4) . .
O32 Si1 O16 109.0(4) . .
O4 Si1 O16 109.7(4) . .
O11 Si1 O16 108.4(4) . .
O45 Si2 O69 110.5(4) . .
O45 Si2 O53 108.1(4) . .
O69 Si2 O53 110.3(4) . .
O45 Si2 O67 108.7(4) . .
O69 Si2 O67 110.4(4) . .
O53 Si2 O67 108.8(4) . .
K1' K1 O103 40.7(4) . .
K1' K1 O102 103.2(7) . .
O103 K1 O102 62.9(8) . .
K1' K1 O68 63.4(2) . .
O103 K1 O68 83.0(4) . .
O102 K1 O68 108.6(7) . .
K1' K1 O24 96.4(3) . .
O103 K1 O24 96.6(4) . .
O102 K1 O24 98.5(7) . .
O68 K1 O24 149.0(3) . .
K1' K1 O37 126.4(3) . .
O103 K1 O37 166.8(5) . .
O102 K1 O37 129.3(7) . .
O68 K1 O37 87.3(2) . .
O24 K1 O37 87.0(2) . .
K1' K1 O35 149.3(3) . .
O103 K1 O35 134.1(5) . .
O102 K1 O35 86.1(7) . .
O68 K1 O35 141.5(2) . .
O24 K1 O35 53.1(2) . .
O37 K1 O35 57.6(2) . .
K1' K1 O44 106.1(3) . .
O103 K1 O44 94.7(4) . .
O102 K1 O44 68.1(7) . .
O68 K1 O44 53.8(2) . .
O24 K1 O44 155.8(2) . .
O37 K1 O44 86.8(2) . .
O35 K1 O44 104.5(2) . .
K1' K1 O40 157.8(3) . .
O103 K1 O40 132.3(5) . .
O102 K1 O40 72.3(7) . .
O68 K1 O40 96.8(2) . .
O24 K1 O40 105.8(2) . .
O37 K1 O40 57.8(2) . .
O35 K1 O40 52.9(2) . .
O44 K1 O40 51.80(19) . .
K1' K1 O3 56.8(2) . .
O103 K1 O3 85.8(4) . .
O102 K1 O3 135.6(7) . .
O68 K1 O3 96.9(2) . .
O24 K1 O3 52.3(2) . .
O37 K1 O3 86.5(2) . .
O35 K1 O3 96.1(2) . .
O44 K1 O3 150.2(2) . .
O40 K1 O3 140.9(2) . .
K1' K1 O2 64.0(2) . .
O103 K1 O2 104.4(4) . .
O102 K1 O2 161.7(7) . .
O68 K1 O2 54.63(19) . .
O24 K1 O2 96.1(2) . .
O37 K1 O2 62.5(2) . .
O35 K1 O2 111.7(2) . .
O44 K1 O2 101.6(2) . .
O40 K1 O2 114.1(2) . .
O3 K1 O2 50.02(19) . .
K1' K1 Fe5 161.5(2) . .
O103 K1 Fe5 157.7(4) . .
O102 K1 Fe5 95.2(7) . .
O68 K1 Fe5 110.17(18) . .
O24 K1 Fe5 81.32(16) . .
O37 K1 Fe5 35.48(14) . .
O35 K1 Fe5 31.56(14) . .
O44 K1 Fe5 80.12(16) . .
O40 K1 Fe5 31.56(13) . .
O3 K1 Fe5 109.52(17) . .
O2 K1 Fe5 97.92(16) . .
O103 K1' K1 74.0(7) . .
O103 K1' O3 118.7(7) . .
K1 K1' O3 71.0(3) . .
O103 K1' O22 73.0(7) . 1_655
K1 K1' O22 146.8(4) . 1_655
O3 K1' O22 130.0(4) . 1_655
O103 K1' O68 101.4(7) . .
K1 K1' O68 63.5(2) . .
O3 K1' O68 105.5(3) . .
O22 K1' O68 120.2(3) 1_655 .
O103 K1' O20 99.6(7) . 1_655
K1 K1' O20 127.1(3) . 1_655
O3 K1' O20 141.6(4) . 1_655
O22 K1' O20 56.2(3) 1_655 1_655
O68 K1' O20 66.9(3) . 1_655
O103 K1' O84 120.0(7) . .
K1 K1' O84 145.7(4) . .
O3 K1' O84 75.1(4) . .
O22 K1' O84 59.6(4) 1_655 .
O68 K1' O84 132.7(4) . .
O20 K1' O84 83.6(4) 1_655 .
O103 K1' O2 141.5(7) . .
K1 K1' O2 68.0(2) . .
O3 K1' O2 53.8(2) . .
O22 K1' O2 143.9(4) 1_655 .
O68 K1' O2 55.8(2) . .
O20 K1' O2 98.2(3) 1_655 .
O84 K1' O2 95.7(4) . .
O103 K1' O23 74.9(7) . .
K1 K1' O23 84.7(3) . .
O3 K1' O23 53.4(2) . .
O22 K1' O23 90.4(3) 1_655 .
O68 K1' O23 147.3(3) . .
O20 K1' O23 145.6(3) 1_655 .
O84 K1' O23 71.1(3) . .
O2 K1' O23 106.9(3) . .
O103 K1' W1 148.0(7) . .
K1 K1' W1 81.4(2) . .
O3 K1' W1 31.27(17) . .
O22 K1' W1 130.6(3) 1_655 .
O68 K1' W1 85.1(2) . .
O20 K1' W1 111.7(3) 1_655 .
O84 K1' W1 72.0(3) . .
O2 K1' W1 29.41(15) . .
O23 K1' W1 82.7(2) . .
O103 K1' W5 84.6(7) . 1_655
K1 K1' W5 142.1(3) . 1_655
O3 K1' W5 146.5(3) . 1_655
O22 K1' W5 29.57(17) 1_655 1_655
O68 K1' W5 91.6(2) . 1_655
O20 K1' W5 26.80(16) 1_655 1_655
O84 K1' W5 72.1(3) . 1_655
O2 K1' W5 122.6(3) . 1_655
O23 K1' W5 119.9(3) . 1_655
W1 K1' W5 126.9(2) . 1_655
O103 K1' Fe1 131.0(7) . .
K1 K1' Fe1 75.7(2) . .
O3 K1' Fe1 85.5(3) . .
O22 K1' Fe1 125.3(3) 1_655 .
O68 K1' Fe1 29.75(16) . .
O20 K1' Fe1 70.3(2) 1_655 .
O84 K1' Fe1 106.7(3) . .
O2 K1' Fe1 31.77(14) . .
O23 K1' Fe1 138.5(3) . .
W1 K1' Fe1 58.69(13) . .
W5 K1' Fe1 96.91(19) 1_655 .
K5 K2 O51 77.0(2) 1_455 .
K5 K2 O21 95.8(3) 1_455 .
O51 K2 O21 151.4(3) . .
K5 K2 O9 67.0(2) 1_455 .
O51 K2 O9 98.9(2) . .
O21 K2 O9 53.6(2) . .
K5 K2 K10 90.6(3) 1_455 1_455
O51 K2 K10 101.0(3) . 1_455
O21 K2 K10 106.8(3) . 1_455
O9 K2 K10 145.6(3) . 1_455
K5 K2 O37 145.9(3) 1_455 .
O51 K2 O37 86.2(2) . .
O21 K2 O37 84.9(2) . .
O9 K2 O37 87.0(2) . .
K10 K2 O37 122.0(3) 1_455 .
K5 K2 O48 107.2(3) 1_455 .
O51 K2 O48 52.8(2) . .
O21 K2 O48 152.2(3) . .
O9 K2 O48 150.9(3) . .
K10 K2 O48 58.7(3) 1_455 .
O37 K2 O48 84.6(2) . .
K5 K2 O33 143.9(3) 1_455 .
O51 K2 O33 138.6(3) . .
O21 K2 O33 50.9(2) . .
O9 K2 O33 95.7(2) . .
K10 K2 O33 87.6(3) 1_455 .
O37 K2 O33 56.0(2) . .
O48 K2 O33 102.5(2) . .
K5 K2 O39 153.6(3) 1_455 .
O51 K2 O39 95.1(2) . .
O21 K2 O39 102.2(2) . .
O9 K2 O39 139.4(3) . .
K10 K2 O39 65.9(3) 1_455 .
O37 K2 O39 56.1(2) . .
O48 K2 O39 51.07(19) . .
O33 K2 O39 51.5(2) . .
K5 K2 O7 83.8(2) 1_455 .
O51 K2 O7 54.3(2) . .
O21 K2 O7 97.7(2) . .
O9 K2 O7 51.7(2) . .
K10 K2 O7 155.3(3) 1_455 .
O37 K2 O7 62.4(2) . .
O48 K2 O7 100.1(2) . .
O33 K2 O7 110.9(2) . .
O39 K2 O7 112.3(3) . .
K5 K2 W5 70.2(2) 1_455 .
O51 K2 W5 126.8(2) . .
O21 K2 W5 29.32(14) . .
O9 K2 W5 29.67(14) . .
K10 K2 W5 119.6(3) 1_455 .
O37 K2 W5 98.3(2) . .
O48 K2 W5 177.1(2) . .
O33 K2 W5 79.57(17) . .
O39 K2 W5 131.06(19) . .
O7 K2 W5 81.01(17) . .
K5 K2 W13 82.3(2) 1_455 .
O51 K2 W13 27.56(14) . .
O21 K2 W13 178.0(2) . .
O9 K2 W13 124.9(2) . .
K10 K2 W13 73.8(3) 1_455 .
O37 K2 W13 96.38(19) . .
O48 K2 W13 29.68(13) . .
O33 K2 W13 131.1(2) . .
O39 K2 W13 79.76(17) . .
O7 K2 W13 81.57(16) . .
W5 K2 W13 148.74(14) . .
O82' K3' O36 84.7(9) . 2_566
O82' K3' O82 12.2(8) . .
O36 K3' O82 92.0(7) 2_566 .
O82' K3' O33 170.8(10) . .
O36 K3' O33 94.3(5) 2_566 .
O82 K3' O33 173.7(8) . .
O82' K3' K10 87.5(9) . 1_455
O36 K3' K10 160.0(7) 2_566 1_455
O82 K3' K10 77.6(7) . 1_455
O33 K3' K10 96.3(6) . 1_455
O82' K3' O65 81.0(8) . 1_455
O36 K3' O65 125.4(6) 2_566 1_455
O82 K3' O65 84.6(6) . 1_455
O33 K3' O65 92.3(5) . 1_455
K10 K3' O65 71.1(5) 1_455 1_455
O82' K3' O31 115.5(9) . .
O36 K3' O31 72.2(5) 2_566 .
O82 K3' O31 127.4(7) . .
O33 K3' O31 55.7(4) . .
K10 K3' O31 127.7(7) 1_455 .
O65 K3' O31 67.7(4) 1_455 .
O82' K3' O78 81.8(9) . .
O36 K3' O78 68.4(5) 2_566 .
O82 K3' O78 75.4(7) . .
O33 K3' O78 106.4(6) . .
K10 K3' O78 92.3(6) 1_455 .
O65 K3' O78 156.4(7) 1_455 .
O31 K3' O78 135.0(7) . .
O82' K3' O39 137.2(9) . .
O36 K3' O39 110.3(5) 2_566 .
O82 K3' O39 125.2(7) . .
O33 K3' O39 51.6(3) . .
K10 K3' O39 64.6(4) 1_455 .
O65 K3' O39 115.8(6) 1_455 .
O31 K3' O39 107.2(5) . .
O78 K3' O39 68.5(4) . .
O82' K3' W9 142.1(9) . .
O36 K3' W9 86.2(5) 2_566 .
O82 K3' W9 152.9(7) . .
O33 K3' W9 28.8(2) . .
K10 K3' W9 110.8(6) 1_455 .
O65 K3' W9 74.7(4) 1_455 .
O31 K3' W9 27.5(2) . .
O78 K3' W9 128.0(6) . .
O39 K3' W9 80.2(4) . .
O82' K3' Fe5 161.6(9) . .
O36 K3' Fe5 91.6(4) 2_566 .
O82 K3' Fe5 151.9(7) . .
O33 K3' Fe5 27.3(2) . .
K10 K3' Fe5 90.0(5) 1_455 .
O65 K3' Fe5 115.4(5) 1_455 .
O31 K3' Fe5 80.1(4) . .
O78 K3' Fe5 80.1(4) . .
O39 K3' Fe5 29.36(18) . .
W9 K3' Fe5 55.1(2) . .
O82' K3' K2 130.3(9) . .
O36 K3' K2 144.8(6) 2_566 .
O82 K3' K2 123.2(7) . .
O33 K3' K2 50.6(3) . .
K10 K3' K2 47.7(4) 1_455 .
O65 K3' K2 66.2(4) 1_455 .
O31 K3' K2 86.1(4) . .
O78 K3' K2 115.0(5) . .
O39 K3' K2 49.6(3) . .
W9 K3' K2 63.8(3) . .
Fe5 K3' K2 56.8(2) . .
O78 K3 O33 119.9(5) . .
O78 K3 O82' 83.2(8) . .
O33 K3 O82' 153.9(8) . .
O78 K3 O36 72.1(4) . 2_566
O33 K3 O36 95.8(3) . 2_566
O82' K3 O36 79.0(7) . 2_566
O78 K3 K10 101.1(5) . 1_455
O33 K3 K10 101.3(4) . 1_455
O82' K3 K10 84.5(7) . 1_455
O36 K3 K10 162.7(5) 2_566 1_455
O78 K3 O39 78.8(4) . .
O33 K3 O39 57.6(2) . .
O82' K3 O39 146.1(8) . .
O36 K3 O39 121.2(3) 2_566 .
K10 K3 O39 71.3(3) 1_455 .
O78 K3 O82 77.1(6) . .
O33 K3 O82 162.8(6) . .
O82' K3 O82 11.9(7) . .
O36 K3 O82 87.0(5) 2_566 .
K10 K3 O82 75.9(5) 1_455 .
O39 K3 O82 134.2(5) . .
O78 K3 O31 137.5(5) . .
O33 K3 O31 53.7(3) . .
O82' K3 O31 101.4(7) . .
O36 K3 O31 67.6(3) 2_566 .
K10 K3 O31 121.3(5) 1_455 .
O39 K3 O31 111.3(3) . .
O82 K3 O31 112.9(5) . .
O78 K3 O38 65.6(4) . .
O33 K3 O38 55.7(2) . .
O82' K3 O38 139.8(7) . .
O36 K3 O38 68.0(3) 2_566 .
K10 K3 O38 124.6(4) 1_455 .
O39 K3 O38 53.5(2) . .
O82 K3 O38 139.7(5) . .
O31 K3 O38 87.0(3) . .
O78 K3 O65 152.4(5) . 1_455
O33 K3 O65 87.4(3) . 1_455
O82' K3 O65 71.3(7) . 1_455
O36 K3 O65 111.6(3) 2_566 1_455
K10 K3 O65 67.0(4) 1_455 1_455
O39 K3 O65 117.3(3) . 1_455
O82 K3 O65 75.9(5) . 1_455
O31 K3 O65 60.6(2) . 1_455
O38 K3 O65 141.9(3) . 1_455
O78 K3 Fe5 90.4(4) . .
O33 K3 Fe5 31.54(17) . .
O82' K3 Fe5 173.4(7) . .
O36 K3 Fe5 97.7(3) 2_566 .
K10 K3 Fe5 98.2(3) 1_455 .
O39 K3 Fe5 32.22(15) . .
O82 K3 Fe5 164.6(5) . .
O31 K3 Fe5 82.4(2) . .
O38 K3 Fe5 34.37(15) . .
O65 K3 Fe5 115.3(3) 1_455 .
O78 K3 W9 136.8(4) . .
O33 K3 W9 26.82(17) . .
O82' K3 W9 127.4(7) . .
O36 K3 W9 83.8(3) 2_566 .
K10 K3 W9 110.6(4) 1_455 .
O39 K3 W9 84.2(2) . .
O82 K3 W9 138.0(5) . .
O31 K3 W9 27.24(15) . .
O38 K3 W9 72.3(2) . .
O65 K3 W9 69.9(2) 1_455 .
Fe5 K3 W9 57.30(12) . .
O88 K4 O91 94.3(10) . .
O88 K4 O41 74.1(8) . .
O91 K4 O41 67.6(6) . .
O88 K4 O23 76.3(8) . 2_666
O91 K4 O23 79.2(7) . 2_666
O41 K4 O23 133.0(3) . 2_666
O88 K4 O79 94.8(9) . .
O91 K4 O79 135.8(7) . .
O41 K4 O79 73.6(3) . .
O23 K4 O79 144.9(4) 2_666 .
O88 K4 O29 76.8(8) . 2_566
O91 K4 O29 152.7(7) . 2_566
O41 K4 O29 131.6(3) . 2_566
O23 K4 O29 73.6(2) 2_666 2_566
O79 K4 O29 71.2(4) . 2_566
O88 K4 Fe6 47.9(8) . .
O91 K4 Fe6 50.6(6) . .
O41 K4 Fe6 45.2(2) . .
O23 K4 Fe6 88.0(3) 2_666 .
O79 K4 Fe6 111.3(4) . .
O29 K4 Fe6 124.6(3) 2_566 .
O88 K4 O94 145.0(9) . .
O91 K4 O94 81.1(7) . .
O41 K4 O94 72.1(3) . .
O23 K4 O94 135.4(4) 2_666 .
O79 K4 O94 67.2(4) . .
O29 K4 O94 120.8(4) 2_566 .
Fe6 K4 O94 109.0(4) . .
O88 K4 O103 142.1(9) . 2_666
O91 K4 O103 94.5(7) . 2_666
O41 K4 O103 142.6(5) . 2_666
O23 K4 O103 69.4(4) 2_666 2_666
O79 K4 O103 104.0(5) . 2_666
O29 K4 O103 78.6(4) 2_566 2_666
Fe6 K4 O103 142.4(5) . 2_666
O94 K4 O103 72.8(5) . 2_666
O88 K4 W8 95.9(8) . 2_566
O91 K4 W8 158.5(6) . 2_566
O41 K4 W8 133.5(2) . 2_566
O23 K4 W8 85.0(2) 2_666 2_566
O79 K4 W8 61.9(3) . 2_566
O29 K4 W8 20.43(16) 2_566 2_566
Fe6 K4 W8 143.7(3) . 2_566
O94 K4 W8 100.7(3) . 2_566
O103 K4 W8 66.1(4) 2_666 2_566
O88 K4 K1' 121.3(8) . 2_666
O91 K4 K1' 95.8(6) . 2_666
O41 K4 K1' 159.3(3) . 2_666
O23 K4 K1' 49.6(2) 2_666 2_666
O79 K4 K1' 115.5(4) . 2_666
O29 K4 K1' 68.5(2) 2_566 2_666
Fe6 K4 K1' 132.9(3) . 2_666
O94 K4 K1' 93.7(3) . 2_666
O103 K4 K1' 21.0(4) 2_666 2_666
W8 K4 K1' 62.76(13) 2_566 2_666
O88 K4 K8 58.8(8) . 2_666
O91 K4 K8 113.1(7) . 2_666
O41 K4 K8 132.9(3) . 2_666
O23 K4 K8 37.9(2) 2_666 2_666
O79 K4 K8 108.6(4) . 2_666
O29 K4 K8 40.4(2) 2_566 2_666
Fe6 K4 K8 96.5(3) . 2_666
O94 K4 K8 153.9(4) . 2_666
O103 K4 K8 83.9(4) 2_666 2_666
W8 K4 K8 57.98(15) 2_566 2_666
K1' K4 K8 64.07(19) 2_666 2_666
O76 K5 O83 76.9(3) . .
O76 K5 K2 138.7(4) . 1_655
O83 K5 K2 118.0(4) . 1_655
O76 K5 O66 102.9(3) . .
O83 K5 O66 130.9(4) . .
K2 K5 O66 94.7(3) 1_655 .
O76 K5 O20 66.5(3) . 1_655
O83 K5 O20 140.7(4) . 1_655
K2 K5 O20 83.9(3) 1_655 1_655
O66 K5 O20 73.2(3) . 1_655
O76 K5 O58 91.9(3) . .
O83 K5 O58 77.3(3) . .
K2 K5 O58 127.9(3) 1_655 .
O66 K5 O58 53.7(2) . .
O20 K5 O58 116.4(3) 1_655 .
O76 K5 O9 79.7(3) . 1_655
O83 K5 O9 107.7(3) . 1_655
K2 K5 O9 59.3(2) 1_655 1_655
O66 K5 O9 120.7(3) . 1_655
O20 K5 O9 53.4(2) 1_655 1_655
O58 K5 O9 168.8(3) . 1_655
O76 K5 W15 92.8(3) . .
O83 K5 W15 102.8(3) . .
K2 K5 W15 117.8(3) 1_655 .
O66 K5 W15 28.59(16) . .
O20 K5 W15 93.0(2) 1_655 .
O58 K5 W15 26.02(14) . .
O9 K5 W15 145.9(3) 1_655 .
O76 K5 W5 75.2(3) . 1_655
O83 K5 W5 132.0(3) . 1_655
K2 K5 W5 66.67(19) 1_655 1_655
O66 K5 W5 93.2(3) . 1_655
O20 K5 W5 25.11(16) 1_655 1_655
O58 K5 W5 141.3(3) . 1_655
O9 K5 W5 29.12(14) 1_655 1_655
W15 K5 W5 116.8(2) . 1_655
O76 K5 K10 155.7(4) . .
O83 K5 K10 124.2(4) . .
K2 K5 K10 46.6(3) 1_655 .
O66 K5 K10 55.1(2) . .
O20 K5 K10 94.8(3) 1_655 .
O58 K5 K10 82.6(3) . .
O9 K5 K10 102.0(3) 1_655 .
W15 K5 K10 72.1(2) . .
W5 K5 K10 94.4(3) 1_655 .
O76 K5 K6 97.9(3) . .
O83 K5 K6 40.5(3) . .
K2 K5 K6 118.5(3) 1_655 .
O66 K5 K6 92.7(3) . .
O20 K5 K6 154.9(3) 1_655 .
O58 K5 K6 41.80(19) . .
O9 K5 K6 146.3(3) 1_655 .
W15 K5 K6 67.41(17) . .
W5 K5 K6 171.8(3) 1_655 .
K10 K5 K6 93.7(3) . .
O100 K6 O85 97.3(10) . .
O100 K6 O83 143.3(9) . .
O85 K6 O83 116.6(6) . .
O100 K6 O58 120.6(8) . .
O85 K6 O58 74.2(6) . .
O83 K6 O58 84.0(3) . .
O100 K6 K11 78.3(8) . 2_777
O85 K6 K11 130.7(6) . 2_777
O83 K6 K11 69.2(4) . 2_777
O58 K6 K11 149.4(4) . 2_777
O100 K6 O17 79.9(8) . 2_677
O85 K6 O17 71.2(6) . 2_677
O83 K6 O17 97.3(4) . 2_677
O58 K6 O17 141.8(4) . 2_677
K11 K6 O17 59.6(3) 2_777 2_677
O100 K6 O49 79.2(8) . 1_655
O85 K6 O49 146.6(6) . 1_655
O83 K6 O49 79.6(3) . 1_655
O58 K6 O49 79.2(3) . 1_655
K11 K6 O49 81.6(3) 2_777 1_655
O17 K6 O49 138.8(4) 2_677 1_655
O100 K6 O85' 90.1(10) . .
O85 K6 O85' 21.4(7) . .
O83 K6 O85' 126.6(7) . .
O58 K6 O85' 60.9(7) . .
K11 K6 O85' 148.4(7) 2_777 .
O17 K6 O85' 89.6(7) 2_677 .
O49 K6 O85' 125.4(7) 1_655 .
O100 K6 K5 137.0(8) . .
O85 K6 K5 113.6(6) . .
O83 K6 K5 40.8(3) . .
O58 K6 K5 48.9(2) . .
K11 K6 K5 100.6(3) 2_777 .
O17 K6 K5 137.0(3) 2_677 .
O49 K6 K5 58.4(2) 1_655 .
O85' K6 K5 107.6(7) . .
O100 K6 K14 38.3(9) . 1_665
O85 K6 K14 76.9(7) . 1_665
O83 K6 K14 133.9(5) . 1_665
O58 K6 K14 140.3(5) . 1_665
K11 K6 K14 69.8(5) 2_777 1_665
O17 K6 K14 42.6(5) 2_677 1_665
O49 K6 K14 114.1(5) 1_655 1_665
O85' K6 K14 82.8(8) . 1_665
K5 K6 K14 169.3(5) . 1_665
K8' K8 Fe7 52(2) . 2_667
K8' K8 O84 71(2) . .
Fe7 K8 O84 97.1(7) 2_667 .
K8' K8 O23 115(2) . .
Fe7 K8 O23 165.7(7) 2_667 .
O84 K8 O23 82.9(4) . .
K8' K8 O90 77(2) . .
Fe7 K8 O90 41.1(8) 2_667 .
O84 K8 O90 74.7(7) . .
O23 K8 O90 149.9(7) . .
K8' K8 O97 30(2) . .
Fe7 K8 O97 37.1(12) 2_667 .
O84 K8 O97 99.9(11) . .
O23 K8 O97 128.7(12) . .
O90 K8 O97 75.8(12) . .
K8' K8 O29 148(2) . 1_655
Fe7 K8 O29 122.9(7) 2_667 1_655
O84 K8 O29 79.5(4) . 1_655
O23 K8 O29 71.3(3) . 1_655
O90 K8 O29 84.9(6) . 1_655
O97 K8 O29 159.9(11) . 1_655
K8' K8 O13 62(2) . .
Fe7 K8 O13 109.7(7) 2_667 .
O84 K8 O13 83.2(4) . .
O23 K8 O13 56.0(3) . .
O90 K8 O13 137.9(7) . .
O97 K8 O13 73.3(11) . .
O29 K8 O13 126.0(4) 1_655 .
K8' K8 W6 90(2) . .
Fe7 K8 W6 139.9(7) 2_667 .
O84 K8 W6 81.2(4) . .
O23 K8 W6 25.88(19) . .
O90 K8 W6 155.2(7) . .
O97 K8 W6 103.3(11) . .
O29 K8 W6 96.4(3) 1_655 .
O13 K8 W6 30.20(17) . .
K8' K8 K12 77(2) . .
Fe7 K8 K12 86.7(7) 2_667 .
O84 K8 K12 135.6(6) . .
O23 K8 K12 83.4(5) . .
O90 K8 K12 126.7(7) . .
O97 K8 K12 58.8(11) . .
O29 K8 K12 134.1(5) 1_655 .
O13 K8 K12 54.5(4) . .
W6 K8 K12 68.8(4) . .
K8' K8 K15 117(2) . 1_545
Fe7 K8 K15 100.7(9) 2_667 1_545
O84 K8 K15 161.6(8) . 1_545
O23 K8 K15 78.7(7) . 1_545
O90 K8 K15 122.3(9) . 1_545
O97 K8 K15 91.8(13) . 1_545
O29 K8 K15 94.3(7) 1_655 1_545
O13 K8 K15 86.7(7) . 1_545
W6 K8 K15 82.4(7) . 1_545
K12 K8 K15 42.3(7) . 1_545
K8' K8 K4 151(2) . 2_666
Fe7 K8 K4 156.6(6) 2_667 2_666
O84 K8 K4 92.9(4) . 2_666
O23 K8 K4 36.9(2) . 2_666
O90 K8 K4 123.6(6) . 2_666
O97 K8 K4 159.4(11) . 2_666
O29 K8 K4 38.8(2) 1_655 2_666
O13 K8 K4 92.4(3) . 2_666
W6 K8 K4 62.57(16) . 2_666
K12 K8 K4 100.8(4) . 2_666
K15 K8 K4 72.2(7) 1_545 2_666
K8 K8' Fe7 95(3) . 2_667
K8 K8' O97 130(4) . .
Fe7 K8' O97 55(2) 2_667 .
K8 K8' O13 92(3) . .
Fe7 K8' O13 151(3) 2_667 .
O97 K8' O13 100(3) . .
K8 K8' O84 82(2) . .
Fe7 K8' O84 116(2) 2_667 .
O97 K8' O84 144(3) . .
O13 K8' O84 92.6(15) . .
K8 K8' O97 141(3) . 2_667
Fe7 K8' O97 56.7(19) 2_667 2_667
O97 K8' O97 12(3) . 2_667
O13 K8' O97 102(2) . 2_667
O84 K8' O97 132(2) . 2_667
K8 K8' O90 77(2) . .
Fe7 K8' O90 41.2(13) 2_667 .
O97 K8' O90 94(2) . .
O13 K8' O90 166(2) . .
O84 K8' O90 76.7(14) . .
O97 K8' O90 92.0(19) 2_667 .
K8 K8' O99' 131(3) . .
Fe7 K8' O99' 69.7(18) 2_667 .
O97 K8' O99' 80(2) . .
O13 K8' O99' 124(2) . .
O84 K8' O99' 65.6(15) . .
O97 K8' O99' 68.4(19) 2_667 .
O90 K8' O99' 60.2(15) . .
K8 K8' K9 155(3) . 2_677
Fe7 K8' K9 104(2) 2_667 2_677
O97 K8' K9 75(2) . 2_677
O13 K8' K9 78.8(13) . 2_677
O84 K8' K9 75.3(12) . 2_677
O97 K8' K9 63.5(16) 2_667 2_677
O90 K8' K9 106.7(16) . 2_677
O99' K8' K9 46.4(13) . 2_677
K8 K8' O99 116(3) . .
Fe7 K8' O99 64.3(16) 2_667 .
O97 K8' O99 88(2) . .
O13 K8' O99 135.1(18) . .
O84 K8' O99 60.4(11) . .
O97 K8' O99 78.0(17) 2_667 .
O90 K8' O99 46.3(11) . .
O99' K8' O99 15.2(11) . .
K9 K8' O99 60.8(11) 2_677 .
K8 K8' K12 83(2) . .
Fe7 K8' K12 96.4(19) 2_667 .
O97 K8' K12 65(2) . .
O13 K8' K12 57.1(10) . .
O84 K8' K12 145.3(18) . .
O97 K8' K12 75.8(17) 2_667 .
O90 K8' K12 129.3(17) . .
O99' K8' K12 144(2) . .
K9 K8' K12 110.6(15) 2_677 .
O99 K8' K12 153.3(17) . .
K8 K8' Fe7 145(3) . .
Fe7 K8' Fe7 79.6(18) 2_667 .
O97 K8' Fe7 26.0(19) . .
O13 K8' Fe7 78.5(13) . .
O84 K8' Fe7 131.2(17) . .
O97 K8' Fe7 23.6(13) 2_667 .
O90 K8' Fe7 115.4(16) . .
O99' K8' Fe7 79.9(16) . .
K9 K8' Fe7 55.9(9) 2_677 .
O99 K8' Fe7 92.9(14) . .
K12 K8' Fe7 64.2(9) . .
O99' K9 O55 76.8(12) 2_677 .
O99' K9 O1 96.7(13) 2_677 2_677
O55 K9 O1 96.6(4) . 2_677
O99' K9 O6 136.7(13) 2_677 2_677
O55 K9 O6 130.5(6) . 2_677
O1 K9 O6 53.3(3) 2_677 2_677
O99' K9 O12 123.4(13) 2_677 2_677
O55 K9 O12 146.5(7) . 2_677
O1 K9 O12 105.9(4) 2_677 2_677
O6 K9 O12 55.3(3) 2_677 2_677
O99' K9 O85' 139.0(14) 2_677 .
O55 K9 O85' 65.9(8) . .
O1 K9 O85' 103.7(8) 2_677 .
O6 K9 O85' 82.9(8) 2_677 .
O12 K9 O85' 84.6(9) 2_677 .
O99' K9 O97 67.5(16) 2_677 1_565
O55 K9 O97 119.5(10) . 1_565
O1 K9 O97 133.6(9) 2_677 1_565
O6 K9 O97 108.5(10) 2_677 1_565
O12 K9 O97 59.3(10) 2_677 1_565
O85' K9 O97 116.7(12) . 1_565
O99' K9 K8' 60.4(15) 2_677 2_677
O55 K9 K8' 136.9(11) . 2_677
O1 K9 K8' 84.5(10) 2_677 2_677
O6 K9 K8' 83.9(9) 2_677 2_677
O12 K9 K8' 70.9(9) 2_677 2_677
O85' K9 K8' 155.5(12) . 2_677
O97 K9 K8' 49.4(12) 1_565 2_677
O99' K9 O97 66.0(15) 2_677 2_677
O55 K9 O97 131.1(10) . 2_677
O1 K9 O97 117.6(9) 2_677 2_677
O6 K9 O97 98.3(9) 2_677 2_677
O12 K9 O97 57.4(10) 2_677 2_677
O85' K9 O97 129.1(12) . 2_677
O97 K9 O97 16.1(15) 1_565 2_677
K8' K9 O97 33.8(12) 2_677 2_677
O99' K9 O99 5.3(14) 2_677 2_677
O55 K9 O99 76.1(7) . 2_677
O1 K9 O99 91.6(7) 2_677 2_677
O6 K9 O99 133.5(8) 2_677 2_677
O12 K9 O99 126.6(7) 2_677 2_677
O85' K9 O99 140.2(9) . 2_677
O97 K9 O99 72.0(12) 1_565 2_677
K8' K9 O99 60.9(11) 2_677 2_677
O97 K9 O99 69.6(12) 2_677 2_677
O99' K9 Fe7 97.3(13) 2_677 2_677
O55 K9 Fe7 122.7(6) . 2_677
O1 K9 Fe7 140.3(5) 2_677 2_677
O6 K9 Fe7 92.5(5) 2_677 2_677
O12 K9 Fe7 37.2(4) 2_677 2_677
O85' K9 Fe7 89.2(9) . 2_677
O97 K9 Fe7 30.9(11) 1_565 2_677
K8' K9 Fe7 70.9(10) 2_677 2_677
O97 K9 Fe7 40.0(10) 2_677 2_677
O99 K9 Fe7 102.2(7) 2_677 2_677
O99' K9 W3 130.9(12) 2_677 2_677
O55 K9 W3 152.1(7) . 2_677
O1 K9 W3 78.8(3) 2_677 2_677
O6 K9 W3 29.00(17) 2_677 2_677
O12 K9 W3 27.23(18) 2_677 2_677
O85' K9 W3 88.2(8) . 2_677
O97 K9 W3 80.6(10) 1_565 2_677
K8' K9 W3 70.5(9) 2_677 2_677
O97 K9 W3 73.0(9) 2_677 2_677
O99 K9 W3 131.1(7) 2_677 2_677
Fe7 K9 W3 64.0(4) 2_677 2_677
K3 K10 O64 92.5(4) 1_655 .
K3 K10 K3' 8.9(3) 1_655 1_655
O64 K10 K3' 84.3(5) . 1_655
K3 K10 O81 93.6(6) 1_655 1_655
O64 K10 O81 81.7(5) . 1_655
K3' K10 O81 96.0(7) 1_655 1_655
K3 K10 O48 106.6(4) 1_655 1_655
O64 K10 O48 160.8(6) . 1_655
K3' K10 O48 114.8(5) 1_655 1_655
O81 K10 O48 95.8(6) 1_655 1_655
K3 K10 K2 85.9(5) 1_655 1_655
O64 K10 K2 121.8(5) . 1_655
K3' K10 K2 87.1(6) 1_655 1_655
O81 K10 K2 156.5(6) 1_655 1_655
O48 K10 K2 62.1(3) 1_655 1_655
K3 K10 O81' 78.4(5) 1_655 1_655
O64 K10 O81' 81.0(5) . 1_655
K3' K10 O81' 80.7(6) 1_655 1_655
O81 K10 O81' 15.3(4) 1_655 1_655
O48 K10 O81' 101.5(5) 1_655 1_655
K2 K10 O81' 153.0(5) 1_655 1_655
K3 K10 O96' 154.9(8) 1_655 .
O64 K10 O96' 80.7(6) . .
K3' K10 O96' 154.6(8) 1_655 .
O81 K10 O96' 61.6(8) 1_655 .
O48 K10 O96' 81.4(6) 1_655 .
K2 K10 O96' 118.3(7) 1_655 .
O81' K10 O96' 76.7(7) 1_655 .
K3 K10 O46 77.7(4) 1_655 1_655
O64 K10 O46 134.1(6) . 1_655
K3' K10 O46 86.0(4) 1_655 1_655
O81 K10 O46 54.9(4) 1_655 1_655
O48 K10 O46 52.5(3) 1_655 1_655
K2 K10 O46 102.3(4) 1_655 1_655
O81' K10 O46 53.1(4) 1_655 1_655
O96' K10 O46 89.7(7) . 1_655
K3 K10 O39 56.8(3) 1_655 1_655
O64 K10 O39 149.2(5) . 1_655
K3' K10 O39 64.9(4) 1_655 1_655
O81 K10 O39 100.8(5) 1_655 1_655
O48 K10 O39 49.9(3) 1_655 1_655
K2 K10 O39 59.5(3) 1_655 1_655
O81' K10 O39 93.5(4) 1_655 1_655
O96' K10 O39 127.7(7) . 1_655
O46 K10 O39 48.1(2) 1_655 1_655
K3 K10 O65 63.4(4) 1_655 .
O64 K10 O65 52.7(3) . .
K3' K10 O65 55.2(4) 1_655 .
O81 K10 O65 124.7(6) 1_655 .
O48 K10 O65 137.6(6) 1_655 .
K2 K10 O65 75.8(4) 1_655 .
O81' K10 O65 115.1(5) 1_655 .
O96' K10 O65 126.0(6) . .
O46 K10 O65 141.1(5) 1_655 .
O39 K10 O65 104.9(5) 1_655 .
K3 K10 W12 79.8(3) 1_655 1_655
O64 K10 W12 161.3(6) . 1_655
K3' K10 W12 88.7(4) 1_655 1_655
O81 K10 W12 81.9(5) 1_655 1_655
O48 K10 W12 31.19(17) 1_655 1_655
K2 K10 W12 74.9(3) 1_655 1_655
O81' K10 W12 80.8(4) 1_655 1_655
O96' K10 W12 99.1(6) . 1_655
O46 K10 W12 27.75(16) 1_655 1_655
O39 K10 W12 29.14(15) 1_655 1_655
O65 K10 W12 134.0(5) . 1_655
O99 K11 O75 98.2(8) . .
O99 K11 O52 115.7(9) . 2_677
O75 K11 O52 115.2(4) . 2_677
O99 K11 K6 115.3(9) . 2_777
O75 K11 K6 117.1(5) . 2_777
O52 K11 K6 96.6(5) 2_677 2_777
O99 K11 O17 64.7(8) . 1_655
O75 K11 O17 93.2(4) . 1_655
O52 K11 O17 150.4(5) 2_677 1_655
K6 K11 O17 61.1(3) 2_777 1_655
O99 K11 O99' 17.1(11) . .
O75 K11 O99' 93.8(10) . .
O52 K11 O99' 103.6(11) 2_677 .
K6 K11 O99' 131.0(11) 2_777 .
O17 K11 O99' 81.3(11) 1_655 .
O99 K11 O83 151.5(9) . 2_777
O75 K11 O83 71.4(4) . 2_777
O52 K11 O83 92.5(4) 2_677 2_777
K6 K11 O83 53.4(4) 2_777 2_777
O17 K11 O83 88.8(4) 1_655 2_777
O99' K11 O83 161.9(10) . 2_777
O99 K11 W14 100.0(9) . 2_677
O75 K11 W14 97.9(3) . 2_677
O52 K11 W14 27.32(19) 2_677 2_677
K6 K11 W14 123.9(4) 2_777 2_677
O17 K11 W14 162.4(5) 1_655 2_677
O99' K11 W14 84.3(11) . 2_677
O83 K11 W14 107.6(3) 2_777 2_677
O99 K11 W13 134.6(8) . 2_677
O75 K11 W13 116.5(4) . 2_677
O52 K11 W13 23.7(2) 2_677 2_677
K6 K11 W13 75.2(3) 2_777 2_677
O17 K11 W13 135.1(5) 1_655 2_677
O99' K11 W13 125.6(10) . 2_677
O83 K11 W13 71.8(3) 2_777 2_677
W14 K11 W13 49.52(12) 2_677 2_677
O99 K11 K14 44.5(9) . 2_667
O75 K11 K14 128.0(6) . 2_667
O52 K11 K14 114.2(5) 2_677 2_667
K6 K11 K14 71.8(5) 2_777 2_667
O17 K11 K14 43.3(5) 1_655 2_667
O99' K11 K14 59.2(11) . 2_667
O83 K11 K14 121.5(6) 2_777 2_667
W14 K11 K14 119.8(5) 2_677 2_667
W13 K11 K14 115.2(5) 2_677 2_667
O99 K11 K12 40.7(8) . 2_667
O75 K11 K12 127.3(6) . 2_667
O52 K11 K12 76.6(4) 2_677 2_667
K6 K11 K12 111.6(4) 2_777 2_667
O17 K11 K12 93.1(4) 1_655 2_667
O99' K11 K12 36.1(10) . 2_667
O83 K11 K12 161.0(5) 2_777 2_667
W14 K11 K12 69.3(4) 2_677 2_667
W13 K11 K12 93.9(4) 2_677 2_667
K14 K11 K12 52.6(5) 2_667 2_667
O99 K11 K9 47.6(8) . 2_677
O75 K11 K9 77.7(4) . 2_677
O52 K11 K9 86.6(4) 2_677 2_677
K6 K11 K9 161.0(4) 2_777 2_677
O17 K11 K9 108.5(5) 1_655 2_677
O99' K11 K9 31.0(10) . 2_677
O83 K11 K9 145.4(4) 2_777 2_677
W14 K11 K9 61.2(3) 2_677 2_677
W13 K11 K9 110.1(3) 2_677 2_677
K14 K11 K9 89.8(5) 2_667 2_677
K12 K11 K9 50.8(4) 2_667 2_677
O95' K12 O99' 111.1(19) . 2_667
O95' K12 K15 57.7(18) . 1_545
O99' K12 K15 118.7(16) 2_667 1_545
O95' K12 O95 21.0(14) . .
O99' K12 O95 98.0(14) 2_667 .
K15 K12 O95 78.0(12) 1_545 .
O95' K12 O14 99.9(16) . .
O99' K12 O14 106.6(14) 2_667 .
K15 K12 O14 134.0(12) 1_545 .
O95 K12 O14 88.6(8) . .
O95' K12 O99 104.7(17) . 2_667
O99' K12 O99 17.5(11) 2_667 2_667
K15 K12 O99 130.2(13) 1_545 2_667
O95 K12 O99 87.7(10) . 2_667
O14 K12 O99 92.3(9) . 2_667
O95' K12 O13 126.5(16) . .
O99' K12 O13 119.2(13) 2_667 .
K15 K12 O13 107.9(11) 1_545 .
O95 K12 O13 129.3(9) . .
O14 K12 O13 50.3(4) . .
O99 K12 O13 117.7(9) 2_667 .
O95' K12 O25 79.7(15) . .
O99' K12 O25 155.4(14) 2_667 .
K15 K12 O25 85.9(11) 1_545 .
O95 K12 O25 84.9(7) . .
O14 K12 O25 48.9(4) . .
O99 K12 O25 140.6(10) 2_667 .
O13 K12 O25 47.0(4) . .
O95' K12 O97 161.4(19) . .
O99' K12 O97 63.6(15) 2_667 .
K15 K12 O97 107.8(15) 1_545 .
O95 K12 O97 161.5(13) . .
O14 K12 O97 98.7(11) . .
O99 K12 O97 75.1(12) 2_667 .
O13 K12 O97 66.6(10) . .
O25 K12 O97 112.7(11) . .
O95' K12 K8' 145.6(19) . .
O99' K12 K8' 95.3(15) 2_667 .
K15 K12 K8' 90.8(14) 1_545 .
O95 K12 K8' 165.6(12) . .
O14 K12 K8' 92.8(10) . .
O99 K12 K8' 106.6(12) 2_667 .
O13 K12 K8' 45.6(8) . .
O25 K12 K8' 85.2(9) . .
O97 K12 K8' 31.9(12) . .
O95' K12 K8 125.4(17) . .
O99' K12 K8 109.5(13) 2_667 .
K15 K12 K8 71.5(10) 1_545 .
O95 K12 K8 146.0(9) . .
O14 K12 K8 101.8(6) . .
O99 K12 K8 123.6(9) 2_667 .
O13 K12 K8 51.4(4) . .
O25 K12 K8 78.3(5) . .
O97 K12 K8 49.0(9) . .
K8' K12 K8 20.2(8) . .
O95' K12 K9 111.4(15) . 1_545
O99' K12 K9 40.0(12) 2_667 1_545
K15 K12 K9 84.6(11) 1_545 1_545
O95 K12 K9 112.4(8) . 1_545
O14 K12 K9 140.3(8) . 1_545
O99 K12 K9 57.3(8) 2_667 1_545
O13 K12 K9 118.3(7) . 1_545
O25 K12 K9 157.9(8) . 1_545
O97 K12 K9 52.3(10) . 1_545
K8' K12 K9 75.1(9) . 1_545
K8 K12 K9 79.8(5) . 1_545
O89 K13 O87 172.6(8) . .
O89 K13 O63 63.2(6) . 2_676
O87 K13 O63 116.1(6) . 2_676
O89 K13 O47 63.8(5) . .
O87 K13 O47 122.9(6) . .
O63 K13 O47 100.0(5) 2_676 .
O89 K13 O93' 50.3(6) . .
O87 K13 O93' 123.0(7) . .
O63 K13 O93' 89.1(6) 2_676 .
O47 K13 O93' 98.6(6) . .
O89 K13 O89' 21.6(8) . .
O87 K13 O89' 153.4(10) . .
O63 K13 O89' 80.4(9) 2_676 .
O47 K13 O89' 70.0(9) . .
O93' K13 O89' 32.1(9) . .
O89 K13 O42 94.5(6) . .
O87 K13 O42 88.2(5) . .
O63 K13 O42 152.2(6) 2_676 .
O47 K13 O42 53.2(3) . .
O93' K13 O42 88.2(6) . .
O89' K13 O42 82.8(9) . .
O89 K13 O43 125.3(7) . .
O87 K13 O43 61.6(4) . .
O63 K13 O43 126.5(6) 2_676 .
O47 K13 O43 61.5(4) . .
O93' K13 O43 140.1(7) . .
O89' K13 O43 127.0(9) . .
O42 K13 O43 51.9(3) . .
O89 K13 O93 78.3(6) . .
O87 K13 O93 94.6(5) . .
O63 K13 O93 96.6(5) 2_676 .
O47 K13 O93 124.6(6) . .
O93' K13 O93 29.3(4) . .
O89' K13 O93 61.4(9) . .
O42 K13 O93 94.4(5) . .
O43 K13 O93 136.1(6) . .
O89 K13 O101 82.6(8) . .
O87 K13 O101 93.8(8) . .
O63 K13 O101 133.8(8) 2_676 .
O47 K13 O101 90.6(7) . .
O93' K13 O101 44.7(7) . .
O89' K13 O101 61.3(10) . .
O42 K13 O101 50.7(7) . .
O43 K13 O101 98.1(7) . .
O93 K13 O101 43.7(7) . .
O89 K13 W16 65.7(5) . .
O87 K13 W16 121.7(5) . .
O63 K13 W16 78.9(4) 2_676 .
O47 K13 W16 25.66(19) . .
O93' K13 W16 112.5(6) . .
O89' K13 W16 80.5(9) . .
O42 K13 W16 76.7(4) . .
O43 K13 W16 65.1(3) . .
O93 K13 W16 141.7(5) . .
O101 K13 W16 115.8(7) . .
O89 K13 W12 70.3(5) . .
O87 K13 W12 113.8(5) . .
O63 K13 W12 124.7(5) 2_676 .
O47 K13 W12 29.5(2) . .
O93' K13 W12 83.0(5) . .
O89' K13 W12 64.6(8) . .
O42 K13 W12 27.6(2) . .
O43 K13 W12 62.8(3) . .
O93 K13 W12 101.6(5) . .
O101 K13 W12 62.1(7) . .
W16 K13 W12 55.2(2) . .
O14 K14 O100 95.4(12) . 1_445
O14 K14 O17 152.6(13) . 2_567
O100 K14 O17 76.0(11) 1_445 2_567
O14 K14 O90 100.0(11) . 2_667
O100 K14 O90 131.3(14) 1_445 2_667
O17 K14 O90 69.2(9) 2_567 2_667
O14 K14 O99 95.8(12) . 2_667
O100 K14 O99 84.9(12) 1_445 2_667
O17 K14 O99 58.0(9) 2_567 2_667
O90 K14 O99 47.9(9) 2_667 2_667
O14 K14 W3 28.6(4) . .
O100 K14 W3 123.5(12) 1_445 .
O17 K14 W3 144.6(10) 2_567 .
O90 K14 W3 76.6(9) 2_667 .
O99 K14 W3 92.1(10) 2_667 .
O14 K14 K12 49.3(6) . .
O100 K14 K12 76.8(11) 1_445 .
O17 K14 K12 103.3(9) 2_567 .
O90 K14 K12 79.2(9) 2_667 .
O99 K14 K12 49.3(8) 2_667 .
W3 K14 K12 60.1(6) . .
O14 K14 W7 23.6(4) . .
O100 K14 W7 77.9(10) 1_445 .
O17 K14 W7 151.8(10) 2_567 .
O90 K14 W7 123.5(11) 2_667 .
O99 K14 W7 109.4(11) 2_667 .
W3 K14 W7 50.2(4) . .
K12 K14 W7 60.2(6) . .
O14 K14 K14 110.5(13) . 2_567
O100 K14 K14 147.1(16) 1_445 2_567
O17 K14 K14 88.3(11) 2_567 2_567
O90 K14 K14 65.0(10) 2_667 2_567
O99 K14 K14 111.1(13) 2_667 2_567
W3 K14 K14 85.7(9) . 2_567
K12 K14 K14 135.5(13) . 2_567
W7 K14 K14 119.7(11) . 2_567
O14 K14 K11 112.9(10) . 2_667
O100 K14 K11 53.4(9) 1_445 2_667
O17 K14 K11 41.4(5) 2_567 2_667
O90 K14 K11 78.1(8) 2_667 2_667
O99 K14 K11 36.1(7) 2_667 2_667
W3 K14 K11 122.7(8) . 2_667
K12 K14 K11 65.1(6) . 2_667
W7 K14 K11 112.5(7) . 2_667
K14 K14 K11 126.6(12) 2_567 2_667
O14 K14 K6 129.4(10) . 1_445
O100 K14 K6 35.4(8) 1_445 1_445
O17 K14 K6 41.5(4) 2_567 1_445
O90 K14 K6 107.3(10) 2_667 1_445
O99 K14 K6 74.1(9) 2_667 1_445
W3 K14 K6 154.1(9) . 1_445
K12 K14 K6 95.0(7) . 1_445
W7 K14 K6 113.3(7) . 1_445
K14 K14 K6 119.5(11) 2_567 1_445
K11 K14 K6 38.4(4) 2_667 1_445
O95' K15 K12 53.6(16) 1_565 1_565
O95' K15 O56 64.8(16) 1_565 .
K12 K15 O56 105.1(15) 1_565 .
O95' K15 O86 65.3(17) 1_565 2_676
K12 K15 O86 89.6(14) 1_565 2_676
O56 K15 O86 100.4(14) . 2_676
O95' K15 O88 127(2) 1_565 2_676
K12 K15 O88 120.4(17) 1_565 2_676
O56 K15 O88 129.7(17) . 2_676
O86 K15 O88 62.3(12) 2_676 2_676
O95' K15 O80 133(2) 1_565 2_676
K12 K15 O80 146.6(18) 1_565 2_676
O56 K15 O80 68.1(12) . 2_676
O86 K15 O80 123.6(17) 2_676 2_676
O88 K15 O80 82.9(15) 2_676 2_676
O95' K15 O55 74.2(17) 1_565 .
K12 K15 O55 72.5(11) 1_565 .
O56 K15 O55 52.2(7) . .
O86 K15 O55 138.5(16) 2_676 .
O88 K15 O55 158.3(17) 2_676 .
O80 K15 O55 78.7(12) 2_676 .
O95' K15 K8 116.8(19) 1_565 1_565
K12 K15 K8 66.2(10) 1_565 1_565
O56 K15 K8 158.3(15) . 1_565
O86 K15 K8 99.4(13) 2_676 1_565
O88 K15 K8 68.3(11) 2_676 1_565
O80 K15 K8 107.5(14) 2_676 1_565
O55 K15 K8 106.4(11) . 1_565
O95' K15 Fe6 96.8(18) 1_565 2_676
K12 K15 Fe6 116.9(14) 1_565 2_676
O56 K15 Fe6 107.9(12) . 2_676
O86 K15 Fe6 32.8(7) 2_676 2_676
O88 K15 Fe6 33.6(8) 2_676 2_676
O80 K15 Fe6 95.8(13) 2_676 2_676
O55 K15 Fe6 160.0(13) . 2_676
K8 K15 Fe6 93.6(9) 1_565 2_676
O95' K15 W14 69.4(16) 1_565 .
K12 K15 W14 89.9(12) 1_565 .
O56 K15 W14 26.9(4) . .
O86 K15 W14 123.2(14) 2_676 .
O88 K15 W14 149.6(15) 2_676 .
O80 K15 W14 69.6(11) 2_676 .
O55 K15 W14 25.5(3) . .
K8 K15 W14 131.5(11) 1_565 .
Fe6 K15 W14 134.7(11) 2_676 .
O95' K15 K9 91.7(17) 1_565 .
K12 K15 K9 58.5(9) 1_565 .
O56 K15 K9 87.9(10) . .
O86 K15 K9 148.1(15) 2_676 .
O88 K15 K9 132.7(14) 2_676 .
O80 K15 K9 88.2(12) 2_676 .
O55 K15 K9 35.9(5) . .
K8 K15 K9 70.6(7) 1_565 .
Fe6 K15 K9 164.1(11) 2_676 .
W14 K15 K9 61.0(6) . .
O95' K15 K8' 105.1(19) 1_565 1_565
K12 K15 K8' 52.7(11) 1_565 1_565
O56 K15 K8' 147.2(15) . 1_565
O86 K15 K8' 102.8(14) 2_676 1_565
O88 K15 K8' 82.0(13) 2_676 1_565
O80 K15 K8' 115.4(15) 2_676 1_565
O55 K15 K8' 95.5(11) . 1_565
K8 K15 K8' 14.5(7) 1_565 1_565
Fe6 K15 K8' 104.2(11) 2_676 1_565
W14 K15 K8' 120.9(12) . 1_565
K9 K15 K8' 60.4(8) . 1_565
W1 O1 K9 115.1(5) . 2_677
W1 O2 Fe1 148.7(4) . .
W1 O2 K1' 89.9(3) . .
Fe1 O2 K1' 92.0(3) . .
W1 O2 K1 106.7(3) . .
Fe1 O2 K1 97.6(3) . .
K1' O2 K1 48.00(19) . .
W1 O3 W6 148.0(4) . .
W1 O3 K1' 100.0(3) . .
W6 O3 K1' 109.4(3) . .
W1 O3 K1 108.2(3) . .
W6 O3 K1 99.8(3) . .
K1' O3 K1 52.3(2) . .
Si1 O4 W1 126.3(4) . .
Si1 O4 W2 126.7(4) . .
W1 O4 W2 94.0(2) . .
W2 O5 W1 116.1(3) . .
W3 O6 W1 144.5(4) . .
W3 O6 K9 97.2(3) . 2_677
W1 O6 K9 103.0(4) . 2_677
W2 O7 Fe2 147.3(4) . .
W2 O7 K2 104.7(3) . .
Fe2 O7 K2 99.7(3) . .
W5 O9 W2 149.6(4) . .
W5 O9 K2 98.5(3) . .
W2 O9 K2 108.5(3) . .
W5 O9 K5 95.1(3) . 1_455
W2 O9 K5 112.0(3) . 1_455
K2 O9 K5 53.7(2) . 1_455
W4 O10 W2 144.4(4) . .
Si1 O11 W3 123.1(4) . .
Si1 O11 W7 123.6(4) . .
W3 O11 W7 95.5(3) . .
Si1 O11 W6 125.3(4) . .
W3 O11 W6 90.2(2) . .
W7 O11 W6 89.7(2) . .
W3 O12 Fe7 167.5(8) . .
W3 O12 K9 99.2(4) . 2_677
Fe7 O12 K9 82.4(7) . 2_677
W6 O13 W3 117.9(4) . .
W6 O13 K8' 118.5(12) . .
W3 O13 K8' 121.3(12) . .
W6 O13 K8 95.5(4) . .
W3 O13 K8 146.1(4) . .
K8' O13 K8 25.3(11) . .
W6 O13 K12 110.8(5) . .
W3 O13 K12 97.0(5) . .
K8' O13 K12 77.2(11) . .
K8 O13 K12 74.1(5) . .
W7 O14 W3 121.1(4) . .
W7 O14 K14 121.8(8) . .
W3 O14 K14 109.2(7) . .
W7 O14 K12 108.0(5) . .
W3 O14 K12 102.1(5) . .
K14 O14 K12 86.7(8) . .
W3 O15 W4 149.9(4) . .
Si1 O16 W4 123.8(4) . .
Si1 O16 W8 123.4(4) . .
W4 O16 W8 95.2(3) . .
Si1 O16 W5 124.0(4) . .
W4 O16 W5 91.0(2) . .
W8 O16 W5 90.2(2) . .
W4 O17 K11 126.8(4) . 1_455
W4 O17 K6 122.3(4) . 2_677
K11 O17 K6 59.3(4) 1_455 2_677
W4 O17 K14 132.8(7) . 2_567
K11 O17 K14 95.3(7) 1_455 2_567
K6 O17 K14 95.8(7) 2_677 2_567
W8 O18 W4 121.4(4) . .
W5 O19 W4 117.2(4) . .
W5 O20 K5 105.7(3) . 1_455
W5 O20 K1' 99.3(3) . 1_455
K5 O20 K1' 149.9(4) 1_455 1_455
W5 O21 W9 146.6(4) . .
W5 O21 K2 99.5(3) . .
W9 O21 K2 110.7(3) . .
W5 O22 W8 117.6(4) . .
W5 O22 K1' 103.8(3) . 1_455
W8 O22 K1' 138.0(4) . 1_455
W6 O23 K4 147.4(4) . 2_666
W6 O23 K8 106.2(4) . .
K4 O23 K8 105.2(4) 2_666 .
W6 O23 K1' 93.0(3) . .
K4 O23 K1' 90.7(3) 2_666 .
K8 O23 K1' 98.7(3) . .
W10 O24 W6 146.1(4) . .
W10 O24 K1 106.1(3) . .
W6 O24 K1 103.8(3) . .
W6 O25 W7 117.9(4) . .
W6 O25 K12 105.2(5) . .
W7 O25 K12 97.4(5) . .
W7 O26 W10 145.2(4) . .
W7 O28 W8 153.5(4) . .
W8 O29 K4 123.5(4) . 2_566
W8 O29 K8 124.1(4) . 1_455
K4 O29 K8 100.8(3) 2_566 1_455
W8 O30 W9 145.6(4) . .
W9 O31 K3' 100.1(4) . .
W9 O31 K3 94.4(3) . .
K3' O31 K3 7.0(3) . .
Si1 O32 W9 128.3(4) . .
Si1 O32 W10 128.0(4) . .
W9 O32 W10 94.1(2) . .
W9 O33 Fe5 141.9(4) . .
W9 O33 K3 110.2(3) . .
Fe5 O33 K3 101.9(3) . .
W9 O33 K3' 101.5(4) . .
Fe5 O33 K3' 110.8(4) . .
K3 O33 K3' 8.9(4) . .
W9 O33 K2 108.5(3) . .
Fe5 O33 K2 94.2(3) . .
K3 O33 K2 84.7(3) . .
K3' O33 K2 85.2(4) . .
W9 O34 W10 115.5(3) . .
W10 O35 Fe5 142.3(4) . .
W10 O35 K1 108.1(3) . .
Fe5 O35 K1 94.4(3) . .
W10 O36 K3' 163.1(5) . 2_566
W10 O36 K3 154.0(4) . 2_566
K3' O36 K3 9.3(3) 2_566 2_566
Fe5 O37 K1 90.6(3) . .
Fe5 O37 K2 91.6(3) . .
K1 O37 K2 177.6(3) . .
Fe5 O38 K3 84.1(3) . .
W12 O39 Fe5 141.3(4) . .
W12 O39 K3 121.7(4) . .
Fe5 O39 K3 93.4(3) . .
W12 O39 K2 107.6(3) . .
Fe5 O39 K2 93.1(3) . .
K3 O39 K2 79.9(3) . .
W12 O39 K10 85.1(4) . 1_455
Fe5 O39 K10 132.8(4) . 1_455
K3 O39 K10 51.9(3) . 1_455
K2 O39 K10 54.5(3) . 1_455
W12 O39 K3' 123.5(4) . .
Fe5 O39 K3' 92.6(4) . .
K3 O39 K3' 3.7(4) . .
K2 O39 K3' 76.4(3) . .
K10 O39 K3' 50.5(4) 1_455 .
W11 O40 Fe5 141.2(4) . .
W11 O40 K1 108.8(3) . .
Fe5 O40 K1 92.4(3) . .
W11 O41 Fe6 141.9(5) . .
W11 O41 K4 148.0(4) . .
Fe6 O41 K4 70.1(3) . .
W11 O42 W12 116.2(3) . .
W11 O42 K13 109.2(4) . .
W12 O42 K13 105.8(4) . .
W18 O43 W11 144.2(4) . .
W18 O43 K13 109.9(4) . .
W11 O43 K13 105.2(4) . .
W17 O44 W11 148.7(4) . .
W17 O44 K1 96.9(3) . .
W11 O44 K1 107.5(3) . .
Si2 O45 W12 128.9(4) . .
Si2 O45 W11 128.4(4) . .
W12 O45 W11 94.0(2) . .
W12 O46 Fe8' 150.5(8) . .
W12 O46 Fe8 156.9(7) . .
Fe8' O46 Fe8 39.0(8) . .
W12 O46 K10 89.1(4) . 1_455
Fe8' O46 K10 103.2(7) . 1_455
Fe8 O46 K10 110.2(7) . 1_455
W16 O47 W12 143.8(4) . .
W16 O47 K13 110.4(4) . .
W12 O47 K13 105.5(4) . .
W13 O48 W12 149.4(4) . .
W13 O48 K10 114.0(4) . 1_455
W12 O48 K10 94.8(3) . 1_455
W13 O48 K2 96.4(3) . .
W12 O48 K2 107.7(3) . .
K10 O48 K2 59.2(4) 1_455 .
W13 O49 K6 130.0(4) . 1_455
W16 O50 W13 118.9(3) . .
W13 O51 Fe2 138.8(4) . .
W13 O51 K2 104.0(3) . .
Fe2 O51 K2 111.2(3) . .
W13 O52 W14 120.0(3) . .
W13 O52 K11 121.7(5) . 2_677
W14 O52 K11 112.6(4) . 2_677
Si2 O53 W14 124.5(4) . .
Si2 O53 W16 122.9(4) . .
W14 O53 W16 93.1(2) . .
Si2 O53 W13 124.5(4) . .
W14 O53 W13 91.5(2) . .
W16 O53 W13 90.7(2) . .
W14 O54 Fe3 125.6(4) . .
W14 O54 Fe2 134.7(4) . .
Fe3 O54 Fe2 97.6(3) . .
W14 O55 K9 164.1(5) . .
W14 O55 K15 95.2(8) . .
K9 O55 K15 95.9(8) . .
W14 O56 W16 120.7(4) . .
W14 O56 K15 111.8(9) . .
W16 O56 K15 127.4(9) . .
W14 O57 W15 150.4(4) . .
W15 O58 K6 165.3(4) . .
W15 O58 K5 98.9(3) . .
K6 O58 K5 89.3(3) . .
W15 O59 Fe3 127.5(4) . .
W15 O59 Fe1 133.3(3) . .
Fe3 O59 Fe1 97.3(3) . .
W15 O60 W18 120.8(3) . .
W18 O62 W16 153.9(4) . .
W18 O63 K13 125.3(5) . 2_676
W18 O64 W17 118.8(3) . .
W18 O64 K10 126.2(5) . .
W17 O64 K10 103.2(4) . .
W17 O65 K3' 127.3(5) . 1_655
W17 O65 K3 127.3(4) . 1_655
K3' O65 K3 5.2(4) 1_655 1_655
W17 O65 K10 89.9(4) . .
K3' O65 K10 53.7(4) 1_655 .
K3 O65 K10 49.6(3) 1_655 .
W15 O66 W17 119.8(4) . .
W15 O66 K5 105.6(3) . .
W17 O66 K5 133.1(4) . .
Si2 O67 W15 125.9(4) . .
Si2 O67 W18 123.1(4) . .
W15 O67 W18 93.4(2) . .
Si2 O67 W17 123.3(4) . .
W15 O67 W17 90.5(2) . .
W18 O67 W17 90.9(2) . .
W17 O68 Fe1 139.2(4) . .
W17 O68 K1' 116.8(3) . .
Fe1 O68 K1' 101.3(3) . .
W17 O68 K1 103.1(3) . .
Fe1 O68 K1 111.5(3) . .
K1' O68 K1 53.1(2) . .
Si2 O69 Fe1 122.6(4) . .
Si2 O69 Fe2 122.1(4) . .
Fe1 O69 Fe2 97.5(3) . .
Fe3 O70 Fe1 100.2(3) . .
Fe3 O70 Fe2 100.9(3) . .
Fe1 O70 Fe2 101.6(3) . .
Fe4 O72 Fe3 133.2(4) . .
Fe1 O73 Fe4 133.6(4) . .
Fe3 O74 Fe4 130.9(4) 2_677 .
Fe4 O75 K11 127.7(4) . .
Fe4 O76 K5 135.6(4) . .
Fe2 O77 Fe4 131.7(4) 2_677 .
K3 O78 K3' 6.7(4) . .
O81 O81' Fe8 107(2) . .
O81 O81' Fe8' 71.1(18) . .
Fe8 O81' Fe8' 35.9(8) . .
O81 O81' K10 68.9(17) . 1_455
Fe8 O81' K10 112.2(8) . 1_455
Fe8' O81' K10 99.3(8) . 1_455
O81' O81 Fe8' 87.1(19) . .
O81' O81 K10 95.9(18) . 1_455
Fe8' O81 K10 108.6(9) . 1_455
O82' O82 Fe6 80(4) . 1_455
O82' O82 K3' 57(4) . .
Fe6 O82 K3' 132.1(10) 1_455 .
O82' O82 K3 64(4) . .
Fe6 O82 K3 135.3(10) 1_455 .
K3' O82 K3 8.1(4) . .
O82 O82' Fe6 82(4) . 1_455
O82 O82' K3' 111(4) . .
Fe6 O82' K3' 154.6(16) 1_455 .
O82 O82' K3 104(4) . .
Fe6 O82' K3 152.3(15) 1_455 .
K3' O82' K3 8.0(4) . .
K6 O83 K5 98.7(4) . .
K6 O83 K11 57.3(3) . 2_777
K5 O83 K11 134.3(4) . 2_777
K8' O84 K8 27.1(11) . .
K8' O84 K1' 121.7(12) . .
K8 O84 K1' 105.1(5) . .
O85 O85' K9 96(2) . .
O85 O85' K6 51.3(18) . .
K9 O85' K6 147.5(13) . .
O85' O85 K6 107(2) . .
O86' O86 Fe6 129(2) . .
O86' O86 K15 109(2) . 2_676
Fe6 O86 K15 100.7(13) . 2_676
O86 O86' O92 168(3) . 1_655
Fe6 O87 K13 137.5(6) . .
Fe6 O88 K4 81.7(11) . .
Fe6 O88 K15 99.5(14) . 2_676
K4 O88 K15 151.8(16) . 2_676
O89 O89' Fe8' 121(3) . .
O89 O89' O93' 120(3) . .
Fe8' O89' O93' 119(3) . .
O89 O89' Fe8 159(3) . .
Fe8' O89' Fe8 41.2(14) . .
O93' O89' Fe8 78.4(19) . .
O89 O89' K13 61(2) . .
Fe8' O89' K13 138(2) . .
O93' O89' K13 73.5(16) . .
Fe8 O89' K13 121.3(18) . .
O89' O89 Fe8' 35(2) . .
O89' O89 K13 97(2) . .
Fe8' O89 K13 119.0(10) . .
Fe7 O90 K8' 41.5(13) 2_667 .
Fe7 O90 K8 56.2(9) 2_667 .
K8' O90 K8 26.1(10) . .
Fe7 O90 K14 113.4(14) 2_667 2_667
K8' O90 K14 138.5(16) . 2_667
K8 O90 K14 164.5(12) . 2_667
Fe6 O91 K4 71.6(8) . .
O86' O92 Fe8 129(2) 1_455 .
O93' O93 K13 64.3(8) . .
O93 O93' O89' 161(2) . .
O93 O93' Fe8 132.2(12) . .
O89' O93' Fe8 59.3(17) . .
O93 O93' K13 86.4(9) . .
O89' O93' K13 74.4(16) . .
Fe8 O93' K13 111.8(9) . .
O95' O95 K12 48(3) . .
O95 O95' K12 111(4) . .
O95 O95' K15 166(4) . 1_545
K12 O95' K15 68.7(19) . 1_545
O96 O96' K10 143(3) . .
O97 O97 Fe7 114(8) 2_667 2_667
O97 O97 K8' 141(8) 2_667 .
Fe7 O97 K8' 62(2) 2_667 .
O97 O97 Fe7 44(6) 2_667 .
Fe7 O97 Fe7 159(3) 2_667 .
K8' O97 Fe7 132(3) . .
O97 O97 K8' 26(6) 2_667 2_667
Fe7 O97 K8' 118(3) 2_667 2_667
K8' O97 K8' 168(3) . 2_667
Fe7 O97 K8' 43.6(14) . 2_667
O97 O97 K8 158(8) 2_667 .
Fe7 O97 K8 54.6(14) 2_667 .
K8' O97 K8 19.6(16) . .
Fe7 O97 K8 145(2) . .
K8' O97 K8 171(2) 2_667 .
O97 O97 K9 91(7) 2_667 1_545
Fe7 O97 K9 81(2) 2_667 1_545
K8' O97 K9 124(3) . 1_545
Fe7 O97 K9 97.3(18) . 1_545
K8' O97 K9 67.0(16) 2_667 1_545
K8 O97 K9 104.3(15) . 1_545
O97 O97 K12 128(8) 2_667 .
Fe7 O97 K12 111(2) 2_667 .
K8' O97 K12 83(2) . .
Fe7 O97 K12 88.6(18) . .
K8' O97 K12 107(2) 2_667 .
K8 O97 K12 72.1(10) . .
K9 O97 K12 72.5(12) 1_545 .
O97 O97 K9 73(6) 2_667 2_677
Fe7 O97 K9 105(2) 2_667 2_677
K8' O97 K9 72(2) . 2_677
Fe7 O97 K9 71.4(14) . 2_677
K8' O97 K9 97.2(17) 2_667 2_677
K8 O97 K9 91.2(14) . 2_677
K9 O97 K9 163.9(15) 1_545 2_677
K12 O97 K9 117.4(16) . 2_677
Fe8' O98 Fe8 38.9(12) . .
O99' O99 K11 107(4) . .
O99' O99 K12 62(4) . 2_667
K11 O99 K12 105.0(11) . 2_667
O99' O99 K14 137(4) . 2_667
K11 O99 K14 99.4(12) . 2_667
K12 O99 K14 79.7(10) 2_667 2_667
O99' O99 K9 14(4) . 2_677
K11 O99 K9 97.6(10) . 2_677
K12 O99 K9 74.1(9) 2_667 2_677
K14 O99 K9 151.6(13) 2_667 2_677
O99' O99 K8' 58(4) . .
K11 O99 K8' 139.0(14) . .
K12 O99 K8' 99.4(13) 2_667 .
K14 O99 K8' 117.1(14) 2_667 .
K9 O99 K8' 58.4(11) 2_677 .
O99 O99' K9 160(5) . 2_677
O99 O99' K12 101(4) . 2_667
K9 O99' K12 96.0(19) 2_677 2_667
O99 O99' K8' 107(4) . .
K9 O99' K8' 73.2(17) 2_677 .
K12 O99' K8' 118(2) 2_667 .
O99 O99' K11 56(4) . .
K9 O99' K11 110.5(17) 2_677 .
K12 O99' K11 102.8(16) 2_667 .
K8' O99' K11 139(2) . .
K6 O100 K14 106.3(14) . 1_665
K1' O103 K1 65.3(6) . .
K1' O103 K4 122.1(9) . 2_666
K1 O103 K4 113.3(7) . 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 1.737(7) .
W1 O2 1.777(7) .
W1 O3 1.908(7) .
W1 O5 1.949(7) .
W1 O6 2.122(7) .
W1 O4 2.227(7) .
W1 K1' 3.620(8) .
W1 K9 4.061(11) 2_677
W1 K1 4.134(5) .
W2 O8 1.727(7) .
W2 O7 1.781(7) .
W2 O9 1.911(7) .
W2 O5 1.928(7) .
W2 O10 2.112(7) .
W2 O4 2.273(7) .
W2 K2 4.044(6) .
W3 O12 1.720(8) .
W3 O6 1.813(7) .
W3 O15 1.897(8) .
W3 O13 1.964(8) .
W3 O14 1.966(8) .
W3 O11 2.285(7) .
W3 K9 3.711(12) 2_677
W3 K14 3.88(3) .
W3 K12 3.93(2) .
W3 K8' 4.08(5) .
W4 O17 1.708(7) .
W4 O10 1.816(7) .
W4 O15 1.907(8) .
W4 O19 1.941(7) .
W4 O18 1.981(7) .
W4 O16 2.284(7) .
W5 O20 1.709(8) .
W5 O21 1.879(7) .
W5 O9 1.894(7) .
W5 O22 1.901(7) .
W5 O19 1.926(7) .
W5 O16 2.345(7) .
W5 K1' 3.741(8) 1_455
W5 K2 3.785(5) .
W5 K5 3.877(8) 1_455
W6 O23 1.698(8) .
W6 O13 1.889(8) .
W6 O25 1.899(7) .
W6 O3 1.918(7) .
W6 O24 1.923(7) .
W6 O11 2.374(7) .
W6 K8 3.737(9) .
W6 K1' 3.850(8) .
W6 K1 3.932(4) .
W6 K8' 3.96(5) .
W7 O27 1.722(7) .
W7 O26 1.850(7) .
W7 O28 1.898(8) .
W7 O14 1.939(7) .
W7 O25 1.954(8) .
W7 O11 2.307(7) .
W7 K12 4.06(2) .
W7 K14 4.12(3) .
W8 O29 1.718(7) .
W8 O30 1.869(7) .
W8 O18 1.909(7) .
W8 O28 1.911(8) .
W8 O22 1.953(7) .
W8 O16 2.308(7) .
W8 K4 4.104(6) 2_566
W9 O31 1.718(7) .
W9 O33 1.799(7) .
W9 O34 1.920(7) .
W9 O21 1.940(7) .
W9 O30 2.028(7) .
W9 O32 2.224(7) .
W9 K3' 3.661(17) .
W9 K3 3.743(9) .
W9 K2 4.098(5) .
W10 O36 1.723(7) .
W10 O35 1.807(7) .
W10 O24 1.915(7) .
W10 O34 1.934(7) .
W10 O26 2.040(7) .
W10 O32 2.232(7) .
W10 K1 3.983(4) .
W11 O41 1.720(7) .
W11 O40 1.810(7) .
W11 O42 1.911(7) .
W11 O44 1.929(7) .
W11 O43 2.030(7) .
W11 O45 2.246(6) .
W11 K1 4.064(4) .
W11 K13 4.077(15) .
W12 O46 1.719(7) .
W12 O39 1.805(7) .
W12 O48 1.919(7) .
W12 O42 1.934(7) .
W12 O47 2.052(7) .
W12 O45 2.217(7) .
W12 K10 3.693(11) 1_455
W12 K13 4.011(16) .
W12 K2 4.114(5) .
W13 O49 1.719(7) .
W13 O51 1.820(7) .
W13 O48 1.902(7) .
W13 O52 1.923(7) .
W13 O50 1.976(7) .
W13 O53 2.362(7) .
W13 K2 3.817(5) .
W13 K11 4.076(12) 2_677
W14 O55 1.710(7) .
W14 O54 1.878(7) .
W14 O57 1.902(7) .
W14 O56 1.930(7) .
W14 O52 1.943(7) .
W14 O53 2.308(7) .
W14 K11 3.907(11) 2_677
W14 K15 3.96(4) .
W15 O58 1.713(7) .
W15 O59 1.883(7) .
W15 O66 1.916(7) .
W15 O57 1.923(7) .
W15 O60 1.931(7) .
W15 O67 2.305(7) .
W15 K5 3.856(8) .
W16 O61 1.715(7) .
W16 O47 1.835(7) .
W16 O50 1.904(7) .
W16 O62 1.916(7) .
W16 O56 1.952(7) .
W16 O53 2.336(7) .
W16 K13 3.972(16) .
W17 O65 1.717(7) .
W17 O68 1.825(7) .
W17 O44 1.904(7) .
W17 O66 1.938(7) .
W17 O64 1.975(7) .
W17 O67 2.389(7) .
W17 K1 3.778(4) .
W17 K10 3.798(12) .
W17 K1' 4.080(8) .
W18 O63 1.721(7) .
W18 O43 1.853(7) .
W18 O62 1.896(7) .
W18 O64 1.927(7) .
W18 O60 1.947(7) .
W18 O67 2.326(7) .
W18 K13 4.066(15) 2_676
W18 K13 4.067(16) .
Fe1 O68 1.920(7) .
Fe1 O73 1.948(7) .
Fe1 O2 1.999(7) .
Fe1 O70 2.024(7) .
Fe1 O69 2.087(7) .
Fe1 O59 2.124(7) .
Fe1 K1' 3.794(8) .
Fe2 O51 1.917(7) .
Fe2 O77 1.947(7) 2_677
Fe2 O7 1.998(7) .
Fe2 O70 2.037(7) .
Fe2 O69 2.101(7) .
Fe2 O54 2.105(7) .
Fe3 O74 1.956(7) 2_677
Fe3 O72 1.989(7) .
Fe3 O59 2.009(7) .
Fe3 O70 2.020(7) .
Fe3 O54 2.052(7) .
Fe3 O71 2.070(7) .
Fe4 O73 1.962(7) .
Fe4 O74 1.963(7) .
Fe4 O77 1.975(7) .
Fe4 O72 1.979(7) .
Fe4 O75 2.100(7) .
Fe4 O76 2.117(8) .
Fe5 O40 1.957(7) .
Fe5 O39 1.958(7) .
Fe5 O33 1.959(7) .
Fe5 O35 1.961(7) .
Fe5 O38 2.081(7) .
Fe5 O37 2.168(7) .
Fe5 K3 3.665(7) .
Fe5 K1 3.735(4) .
Fe5 K2 3.833(5) .
Fe5 K3' 3.988(16) .
Fe6 O82' 2.07(3) 1_655
Fe6 O82 2.08(2) 1_655
Fe6 O86 2.14(3) .
Fe6 O87 2.166(12) .
Fe6 O88 2.18(3) .
Fe6 O41 2.197(11) .
Fe6 O91 2.37(3) .
Fe6 K4 2.910(11) .
Fe6 K15 3.89(4) 2_676
Fe7 O97 1.79(6) 2_667
Fe7 O90 1.92(3) 2_667
Fe7 K8' 1.93(5) 2_667
Fe7 O12 2.10(2) .
Fe7 O97 2.34(5) .
Fe7 K8 2.42(2) 2_667
Fe7 K9 3.45(2) 2_677
Fe7 K8' 3.94(6) .
Fe8' Fe8 1.38(3) .
Fe8' O98 1.56(4) .
Fe8' O89' 1.59(5) .
Fe8' O46 1.95(2) .
Fe8' O81 2.14(3) .
Fe8' O81' 2.26(3) .
Fe8' O89 2.36(3) .
Fe8' Fe8' 2.95(4) 2_576
Fe8 O92 1.78(4) .
Fe8 O89' 2.10(5) .
Fe8 O46 2.16(2) .
Fe8 O98 2.19(4) .
Fe8 O81' 2.22(3) .
Fe8 O93' 2.39(3) .
Si1 O32 1.611(7) .
Si1 O4 1.629(7) .
Si1 O11 1.641(7) .
Si1 O16 1.655(7) .
Si2 O45 1.622(7) .
Si2 O69 1.634(7) .
Si2 O53 1.635(7) .
Si2 O67 1.637(7) .
K1 K1' 2.609(9) .
K1 O103 2.76(2) .
K1 O102 2.81(3) .
K1 O68 2.919(8) .
K1 O24 3.002(8) .
K1 O37 3.020(9) .
K1 O35 3.032(8) .
K1 O44 3.043(8) .
K1 O40 3.102(8) .
K1 O3 3.120(8) .
K1 O2 3.256(8) .
K1' O103 1.87(2) .
K1' O3 2.761(11) .
K1' O22 2.801(11) 1_655
K1' O68 2.918(11) .
K1' O20 3.063(11) 1_655
K1' O84 3.147(17) .
K1' O2 3.156(11) .
K1' O23 3.367(11) .
K1' W5 3.741(8) 1_655
K2 K5 2.820(10) 1_455
K2 O51 2.944(9) .
K2 O21 2.989(9) .
K2 O9 3.009(9) .
K2 K10 3.015(18) 1_455
K2 O37 3.101(10) .
K2 O48 3.103(9) .
K2 O33 3.155(8) .
K2 O39 3.191(9) .
K2 O7 3.206(9) .
K3' O82' 2.54(4) .
K3' O36 2.737(19) 2_566
K3' O82 2.83(3) .
K3' O33 2.848(18) .
K3' K10 2.89(2) 1_455
K3' O65 2.943(17) 1_455
K3' O31 2.944(18) .
K3' O78 2.97(2) .
K3' O39 3.389(17) .
K3 O78 2.666(18) .
K3 O33 2.720(10) .
K3 O82' 2.79(3) .
K3 O36 2.798(10) 2_566
K3 K10 2.806(16) 1_455
K3 O39 2.986(10) .
K3 O82 3.01(2) .
K3 O31 3.196(11) .
K3 O38 3.241(11) .
K3 O65 3.296(12) 1_455
K4 O88 2.27(3) .
K4 O91 2.59(3) .
K4 O41 2.799(9) .
K4 O23 2.826(10) 2_666
K4 O79 2.849(16) .
K4 O29 2.897(9) 2_566
K4 O94 3.105(16) .
K4 O103 3.13(2) 2_666
K4 W8 4.104(6) 2_566
K4 K1' 4.422(10) 2_666
K4 K8 4.541(12) 2_666
K5 O76 2.719(11) .
K5 O83 2.807(13) .
K5 K2 2.820(10) 1_655
K5 O66 2.870(11) .
K5 O20 3.047(11) 1_655
K5 O58 3.200(11) .
K5 O9 3.219(11) 1_655
K5 W5 3.877(8) 1_655
K5 K10 4.149(17) .
K5 K6 4.249(11) .
K6 O100 2.70(4) .
K6 O85 2.74(3) .
K6 O83 2.792(13) .
K6 O58 2.832(10) .
K6 K11 2.927(17) 2_777
K6 O17 2.981(11) 2_677
K6 O49 3.058(11) 1_655
K6 O85' 3.35(4) .
K6 K14 4.47(3) 1_665
K8 K8' 1.30(5) .
K8 Fe7 2.42(2) 2_667
K8 O84 2.839(19) .
K8 O23 2.889(12) .
K8 O90 2.90(3) .
K8 O97 2.97(5) .
K8 O29 2.997(14) 1_655
K8 O13 3.048(13) .
K8 K12 3.75(3) .
K8 K15 3.88(4) 1_545
K8 K4 4.541(12) 2_666
K8' Fe7 1.93(5) 2_667
K8' O97 1.96(7) .
K8' O13 2.70(5) .
K8' O84 2.71(5) .
K8' O97 2.75(7) 2_667
K8' O90 2.89(6) .
K8' O99' 3.03(7) .
K8' K9 3.34(5) 2_677
K8' O99 3.42(6) .
K8' K12 3.68(5) .
K9 O99' 2.53(6) 2_677
K9 O55 2.694(12) .
K9 O1 3.007(14) 2_677
K9 O6 3.020(14) 2_677
K9 O12 3.026(15) 2_677
K9 O85' 3.16(4) .
K9 O97 3.25(6) 1_565
K9 K8' 3.34(5) 2_677
K9 O97 3.39(6) 2_677
K9 O99 3.42(4) 2_677
K9 Fe7 3.45(2) 2_677
K9 W3 3.711(12) 2_677
K10 K3 2.806(15) 1_655
K10 O64 2.824(14) .
K10 K3' 2.89(2) 1_655
K10 O81 2.98(2) 1_655
K10 O48 2.999(14) 1_655
K10 K2 3.015(18) 1_655
K10 O81' 3.18(2) 1_655
K10 O96' 3.29(3) .
K10 O46 3.295(15) 1_655
K10 O39 3.380(14) 1_655
K10 O65 3.390(16) .
K10 W12 3.693(11) 1_655
K11 O99 2.64(4) .
K11 O75 2.642(13) .
K11 O52 2.723(12) 2_677
K11 K6 2.927(16) 2_777
K11 O17 2.935(13) 1_655
K11 O99' 3.05(5) .
K11 O83 3.251(18) 2_777
K11 W14 3.907(11) 2_677
K11 W13 4.076(11) 2_677
K11 K14 4.42(3) 2_667
K11 K12 4.53(3) 2_667
K11 K9 4.59(2) 2_677
K12 O95' 2.38(6) .
K12 O99' 2.74(5) 2_667
K12 K15 2.76(5) 1_545
K12 O95 3.00(3) .
K12 O14 3.01(2) .
K12 O99 3.06(4) 2_667
K12 O13 3.17(2) .
K12 O25 3.31(2) .
K12 O97 3.37(6) .
K12 K9 3.91(3) 1_545
K13 O89 2.62(2) .
K13 O87 2.730(18) .
K13 O63 2.820(17) 2_676
K13 O47 2.940(17) .
K13 O93' 2.96(2) .
K13 O89' 2.97(4) .
K13 O42 3.026(17) .
K13 O43 3.045(17) .
K13 O93 3.28(2) .
K13 O101 3.37(4) .
K14 O14 2.76(3) .
K14 O100 2.89(5) 1_445
K14 O17 3.04(3) 2_567
K14 O90 3.10(4) 2_667
K14 O99 3.14(5) 2_667
K14 K14 4.34(7) 2_567
K14 K11 4.42(3) 2_667
K14 K6 4.47(3) 1_445
K15 O95' 2.50(7) 1_565
K15 K12 2.76(5) 1_565
K15 O56 2.82(4) .
K15 O86 2.87(5) 2_676
K15 O88 2.88(5) 2_676
K15 O80 2.95(6) 2_676
K15 O55 3.42(4) .
K15 K8 3.88(4) 1_565
K15 Fe6 3.89(4) 2_676
K15 K8' 4.63(7) 1_565
O1 K9 3.007(14) 2_677
O6 K9 3.020(14) 2_677
O9 K5 3.219(11) 1_455
O12 K9 3.026(15) 2_677
O17 K11 2.935(13) 1_455
O17 K6 2.981(11) 2_677
O17 K14 3.04(3) 2_567
O20 K5 3.047(11) 1_455
O20 K1' 3.063(11) 1_455
O22 K1' 2.801(11) 1_455
O23 K4 2.826(10) 2_666
O29 K4 2.897(9) 2_566
O29 K8 2.997(14) 1_455
O36 K3' 2.737(19) 2_566
O36 K3 2.798(10) 2_566
O39 K10 3.380(14) 1_455
O46 K10 3.295(15) 1_455
O48 K10 2.999(14) 1_455
O49 K6 3.058(11) 1_455
O52 K11 2.723(12) 2_677
O63 K13 2.820(17) 2_676
O65 K3' 2.943(17) 1_655
O65 K3 3.296(12) 1_655
O74 Fe3 1.956(7) 2_677
O77 Fe2 1.947(7) 2_677
O80 K15 2.95(6) 2_676
O81' O81 0.843(19) .
O81' K10 3.18(2) 1_455
O81 K10 2.98(2) 1_455
O82 O82' 0.64(3) .
O82 Fe6 2.08(2) 1_455
O82' Fe6 2.07(3) 1_455
O83 K11 3.250(18) 2_777
O85' O85 1.28(4) .
O86 O86' 1.23(4) .
O86 K15 2.87(5) 2_676
O86' O92 1.70(4) 1_655
O88 K15 2.88(5) 2_676
O89' O89 1.10(4) .
O89' O93' 1.64(4) .
O90 Fe7 1.92(3) 2_667
O90 K14 3.10(4) 2_667
O92 O86' 1.70(4) 1_455
O93 O93' 1.61(2) .
O95 O95' 1.15(6) .
O95' K15 2.50(7) 1_545
O96' O96 0.73(3) .
O97 O97 0.94(9) 2_667
O97 Fe7 1.79(6) 2_667
O97 K8' 2.75(7) 2_667
O97 K9 3.25(6) 1_545
O97 K9 3.39(6) 2_677
O99 O99' 0.94(5) .
O99 K12 3.06(4) 2_667
O99 K14 3.14(5) 2_667
O99 K9 3.42(4) 2_677
O99' K9 2.53(6) 2_677
O99' K12 2.74(5) 2_667
O100 K14 2.89(5) 1_665
O103 K4 3.13(2) 2_666
