#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/24/4122498.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_4122498
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            'Cl Fe3.5 H51.5 K5 Li6 O83.5 Si1.5 W15'
_chemical_formula_weight         4655.86
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                106.343(3)
_cell_angle_beta                 101.315(3)
_cell_angle_gamma                109.851(3)
_cell_formula_units_Z            4
_cell_length_a                   20.2088(8)
_cell_length_b                   22.0401(6)
_cell_length_c                   22.1265(9)
_cell_measurement_reflns_used    22034
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.2652
_cell_measurement_theta_min      2.7855
_cell_volume                     8417.5(6)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0848
_diffrn_reflns_av_unetI/netI     0.0835
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            134497
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.791
_diffrn_source                   'Enhance (Mo) X-ray source'
_exptl_absorpt_coefficient_mu    21.401
_exptl_absorpt_correction_T_max  0.316
_exptl_absorpt_correction_T_min  0.046
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.674
_exptl_crystal_description       block
_exptl_crystal_F_000             8286
_exptl_crystal_size_max          0.1874
_exptl_crystal_size_mid          0.1332
_exptl_crystal_size_min          0.0547
_refine_diff_density_max         2.352
_refine_diff_density_min         -2.440
_refine_diff_density_rms         0.349
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1900
_refine_ls_number_reflns         33033
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0391P)²+22.5729P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0976
_refine_ls_wR_factor_ref         0.1167
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22024
_reflns_number_total             33033
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja5067916_si_008.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 4122497--4122503.cif.'
_cod_original_formula_sum        'H51.50 Cl Fe3.50 K5 Li6 O83.50 Si1.50 W15'
_cod_database_code               4122498
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
Cl1 Cl -0.0579(2) 0.41444(19) 0.0466(2) 0.0287(9) Uani 1 1 d . .
Cl2 Cl -0.1671(2) 0.25578(17) 0.12951(19) 0.0238(8) Uani 1 1 d . .
Fe1 Fe -0.00722(12) 0.24150(10) 0.05790(11) 0.0221(5) Uani 1 1 d . .
Fe2 Fe -0.28905(12) 0.27208(10) -0.01936(11) 0.0200(5) Uani 1 1 d . .
Fe3 Fe -0.18821(12) 0.19158(10) -0.06049(11) 0.0215(5) Uani 1 1 d . .
Fe4 Fe 0.04836(12) 0.36547(10) 0.20232(11) 0.0211(5) Uani 1 1 d . .
Fe5 Fe -0.22570(12) 0.40777(10) 0.14250(11) 0.0223(5) Uani 1 1 d . .
Fe6 Fe -0.06410(12) 0.45388(10) 0.24754(11) 0.0223(5) Uani 1 1 d . .
Fe7 Fe -0.1191(9) 0.3423(8) 0.0809(10) 0.132(6) Uani 0.3333 1 d . P
K1 K -0.0723(2) 0.47350(17) -0.16581(18) 0.0296(8) Uani 1 1 d . .
K2 K 0.17939(19) 0.54319(16) 0.00029(17) 0.0269(8) Uani 1 1 d . .
K3' K -0.1432(13) 0.4617(11) 0.6370(11) 0.126(7) Uani 0.4 1 d . P
K3 K -0.1087(5) 0.5051(4) 0.6272(4) 0.0465(19) Uani 0.6 1 d . P
K4 K -0.4683(3) -0.2527(2) -0.2389(2) 0.0605(13) Uani 1 1 d . .
K5 K 0.01869(19) 0.66750(17) 0.06423(17) 0.0288(8) Uani 1 1 d . .
K6 K 0.0815(5) -0.0427(4) -0.0284(4) 0.097(3) Uani 0.8 1 d . P
K7 K 0.3380(4) 0.2652(4) -0.1202(4) 0.078(2) Uani 0.8 1 d . P
K8 K -0.0413(5) 0.4033(5) 0.4066(4) 0.125(3) Uani 0.9 1 d . P
K9 K 0.2292(5) 0.2321(5) 0.5026(4) 0.113(3) Uani 0.8 1 d . P
K10 K 0.5091(4) 0.6420(4) 0.3309(5) 0.111(3) Uani 0.8 1 d . P
K11 K -0.5000 0.0000 0.0000 0.073(4) Uiso 0.6 2 d S P
K11' K -0.4998(9) 0.0293(9) 0.0205(9) 0.057(4) Uiso 0.3 1 d . P
K12 K -0.603(2) -0.1419(18) -0.1528(19) 0.253(16) Uiso 0.4 1 d . P
O1 O -0.5142(6) 0.2802(5) -0.1068(5) 0.031(3) Uani 1 1 d . .
O2 O -0.5327(6) 0.1467(5) -0.1141(5) 0.026(3) Uani 1 1 d . .
O3 O -0.4185(6) 0.2669(5) -0.1835(5) 0.029(3) Uani 1 1 d . .
O4 O -0.3941(5) 0.2524(5) -0.0635(5) 0.025(2) Uani 1 1 d . .
O5 O -0.5500(6) 0.1683(5) -0.2237(5) 0.027(3) Uani 1 1 d . .
O6 O -0.3098(6) 0.1692(5) -0.0964(5) 0.023(2) Uani 1 1 d . .
O7 O -0.4450(5) 0.1323(5) -0.1813(5) 0.024(2) Uani 1 1 d . .
O8 O -0.3217(5) 0.1957(4) -0.2085(5) 0.020(2) Uani 1 1 d . .
O9 O -0.3610(5) 0.0647(5) -0.2157(5) 0.025(2) Uani 1 1 d . .
O10 O -0.2592(5) 0.3143(4) -0.0841(5) 0.021(2) Uani 1 1 d . .
O11 O -0.4394(6) 0.0917(5) -0.0679(5) 0.029(3) Uani 1 1 d . .
O12 O -0.5912(6) 0.0113(6) -0.1175(6) 0.038(3) Uani 1 1 d . .
O13 O -0.5818(6) 0.0399(5) -0.2326(5) 0.033(3) Uani 1 1 d . .
O14 O -0.6169(6) 0.0634(6) -0.3509(5) 0.038(3) Uani 1 1 d . .
O15 O -0.4905(6) -0.0084(5) -0.1828(5) 0.031(3) Uani 1 1 d . .
O16 O -0.4668(6) 0.1606(5) -0.2981(5) 0.033(3) Uani 1 1 d . .
O17 O -0.2888(6) 0.3203(5) -0.2052(5) 0.024(2) Uani 1 1 d . .
O18 O -0.4180(6) 0.2964(5) -0.2987(5) 0.035(3) Uani 1 1 d . .
O19 O -0.1397(5) 0.3772(5) -0.1224(5) 0.023(2) Uani 1 1 d . .
O20 O -0.3478(6) 0.0747(5) 0.0334(5) 0.033(3) Uani 1 1 d . .
O21 O -0.3198(6) 0.2042(5) 0.0241(5) 0.026(2) Uani 1 1 d . .
O22 O -0.2327(5) 0.1354(4) -0.0082(5) 0.022(2) Uani 1 1 d . .
O23 O -0.3405(6) 0.2156(5) -0.3212(5) 0.030(3) Uani 1 1 d . .
O24 O -0.4975(6) 0.0292(5) -0.3135(5) 0.027(3) Uani 1 1 d . .
O25 O -0.4657(7) -0.0573(5) -0.4113(5) 0.041(3) Uani 1 1 d . .
O26 O -0.3709(6) 0.0846(5) -0.3365(5) 0.025(2) Uani 1 1 d . .
O27 O -0.4520(6) -0.0642(5) -0.2851(5) 0.032(3) Uani 1 1 d . .
O28 O -0.2446(6) 0.1616(5) -0.3663(5) 0.037(3) Uani 1 1 d . .
O29 O -0.2065(6) 0.2537(5) -0.2384(5) 0.029(3) Uani 1 1 d . .
O30 O -0.1725(5) 0.2467(5) -0.1184(5) 0.023(2) Uani 1 1 d . .
O31 O -0.3589(6) 0.0289(5) -0.1012(5) 0.025(2) Uani 1 1 d . .
O32 O -0.2116(6) 0.1065(5) -0.1376(5) 0.025(2) Uani 1 1 d . .
O33 O -0.2367(6) 0.1213(5) -0.2570(5) 0.028(3) Uani 1 1 d . .
O34 O -0.3304(6) -0.0075(5) -0.3133(5) 0.029(3) Uani 1 1 d . .
O35 O -0.4406(6) -0.1125(5) -0.1817(5) 0.029(3) Uani 1 1 d . .
O36 O -0.3160(6) -0.0279(5) -0.2025(5) 0.025(2) Uani 1 1 d . .
O37 O -0.1859(6) 0.0217(5) -0.2373(5) 0.033(3) Uani 1 1 d . .
O38 O -0.1894(5) 0.2712(5) 0.0075(5) 0.020(2) Uani 1 1 d . .
O39 O -0.0849(5) 0.2087(4) -0.0245(5) 0.021(2) Uani 1 1 d . .
O40 O -0.0297(5) 0.3158(4) 0.1127(5) 0.021(2) Uani 1 1 d . .
O41 O 0.0349(6) 0.1749(4) 0.0215(5) 0.026(3) Uani 1 1 d . .
O42 O -0.0620(6) 0.1813(5) 0.1015(5) 0.025(2) Uani 1 1 d . .
O43 O 0.0680(6) 0.3141(5) 0.0401(5) 0.025(2) Uani 1 1 d . .
O44 O 0.0712(6) 0.0931(5) -0.0719(5) 0.027(3) Uani 1 1 d . .
O45 O 0.1675(5) 0.2333(5) 0.0063(5) 0.024(2) Uani 1 1 d . .
O46 O 0.0791(6) 0.0797(5) 0.0523(5) 0.026(2) Uani 1 1 d . .
O47 O 0.2037(6) 0.1400(5) 0.0309(5) 0.026(2) Uani 1 1 d . .
O48 O 0.2981(6) 0.3128(5) -0.0137(6) 0.035(3) Uani 1 1 d . .
O49 O 0.2037(5) 0.3693(5) 0.0291(5) 0.023(2) Uani 1 1 d . .
O50 O 0.1231(6) 0.4498(5) 0.0512(5) 0.028(3) Uani 1 1 d . .
O51 O 0.3433(6) 0.1673(5) 0.1105(5) 0.031(3) Uani 1 1 d . .
O52 O 0.2946(5) 0.2708(5) 0.0955(5) 0.027(3) Uani 1 1 d . .
O53 O 0.2117(6) 0.1180(5) 0.1419(5) 0.026(3) Uani 1 1 d . .
O54 O 0.1649(5) 0.2101(4) 0.1235(5) 0.021(2) Uani 1 1 d . .
O55 O 0.0814(6) 0.0298(5) 0.1540(6) 0.030(3) Uani 1 1 d . .
O56 O 0.0377(6) 0.1374(5) 0.1543(5) 0.025(2) Uani 1 1 d . .
O57 O -0.0727(6) 0.1492(5) 0.2122(5) 0.030(3) Uani 1 1 d . .
O58 O 0.0792(5) 0.2754(5) 0.1567(5) 0.022(2) Uani 1 1 d . .
O59 O 0.1149(5) 0.4176(5) 0.1612(5) 0.023(2) Uani 1 1 d . .
O60 O -0.0113(6) 0.2877(5) 0.2259(5) 0.026(2) Uani 1 1 d . .
O61 O 0.2059(5) 0.3415(5) 0.1342(5) 0.022(2) Uani 1 1 d . .
O62 O 0.2121(5) 0.3108(5) 0.2434(5) 0.021(2) Uani 1 1 d . .
O63 O 0.1653(6) 0.1701(5) 0.2403(5) 0.024(2) Uani 1 1 d . .
O64 O 0.3129(6) 0.2525(5) 0.2111(5) 0.027(3) Uani 1 1 d . .
O65 O 0.4270(6) 0.3498(5) 0.3267(5) 0.032(3) Uani 1 1 d . .
O66 O 0.3495(6) 0.3860(5) 0.2310(5) 0.030(3) Uani 1 1 d . .
O67 O 0.2842(6) 0.2763(5) 0.3276(5) 0.026(2) Uani 1 1 d . .
O68 O 0.3288(6) 0.4079(5) 0.3458(5) 0.030(3) Uani 1 1 d . .
O69 O 0.1663(6) 0.2153(5) 0.3710(5) 0.034(3) Uani 1 1 d . .
O70 O 0.3340(6) 0.4023(5) 0.1171(5) 0.025(2) Uani 1 1 d . .
O71 O 0.2021(6) 0.3466(5) 0.3620(5) 0.026(2) Uani 1 1 d . .
O72 O 0.2544(6) 0.4913(5) 0.3912(5) 0.033(3) Uani 1 1 d . .
O73 O 0.1360(6) 0.3963(5) 0.2806(5) 0.028(3) Uani 1 1 d . .
O74 O 0.2706(6) 0.4549(5) 0.2639(5) 0.028(3) Uani 1 1 d . .
O75 O 0.0812(6) 0.2339(5) 0.2686(5) 0.028(3) Uani 1 1 d . .
O76 O 0.2514(5) 0.4711(4) 0.1481(5) 0.022(2) Uani 1 1 d . .
O77 O 0.3954(6) 0.5231(5) 0.2315(5) 0.030(3) Uani 1 1 d . .
O78 O 0.0186(5) 0.4356(5) 0.2414(5) 0.023(2) Uani 1 1 d . .
O79 O -0.1314(5) 0.3966(5) 0.1551(5) 0.022(2) Uani 1 1 d . .
O80 O -0.1203(5) 0.3740(5) 0.2715(5) 0.024(2) Uani 1 1 d . .
O81 O -0.0382(5) 0.5373(5) 0.2221(5) 0.019(2) Uani 1 1 d . .
O82 O -0.1702(5) 0.4663(5) 0.2535(5) 0.021(2) Uani 1 1 d . .
O83 O -0.2491(6) 0.2869(5) 0.2834(5) 0.036(3) Uani 1 1 d . .
O84 O -0.0201(6) 0.5171(5) 0.3427(5) 0.029(3) Uani 1 1 d . .
O85 O -0.0470(6) 0.5807(5) 0.1167(5) 0.030(3) Uani 1 1 d . .
O86 O -0.2727(6) 0.3553(5) 0.0499(5) 0.032(3) Uani 1 1 d . .
O87 O -0.1341(5) 0.6000(5) 0.2651(5) 0.024(2) Uani 1 1 d . .
O88 O -0.2595(5) 0.5285(5) 0.2850(5) 0.019(2) Uani 1 1 d . .
O89 O -0.1276(5) 0.5672(5) 0.3724(5) 0.021(2) Uani 1 1 d . .
O90 O -0.1738(6) 0.4979(5) 0.1335(5) 0.025(2) Uani 1 1 d . .
O91 O -0.1716(6) 0.4286(5) 0.3666(5) 0.029(3) Uani 1 1 d . .
O92 O 0.0089(5) 0.6529(5) 0.3651(5) 0.024(2) Uani 1 1 d . .
O93 O -0.2988(5) 0.3912(5) 0.2819(5) 0.026(2) Uani 1 1 d . .
O94 O 0.0903(6) 0.6170(5) 0.4583(5) 0.034(3) Uani 1 1 d . .
O95 O -0.0525(6) 0.5386(5) 0.4600(5) 0.029(3) Uani 1 1 d . .
O96 O -0.1680(6) 0.4686(6) 0.4992(5) 0.038(3) Uani 1 1 d . .
O97 O -0.1428(6) 0.5988(5) 0.4901(5) 0.031(3) Uani 1 1 d . .
O98 O -0.2597(6) 0.4875(5) 0.3991(5) 0.027(2) Uani 1 1 d . .
O99 O -0.0178(6) 0.6678(5) 0.4761(5) 0.032(3) Uani 1 1 d . .
O100 O -0.0949(6) 0.7431(5) 0.5226(5) 0.036(3) Uani 1 1 d . .
O101 O 0.0443(6) 0.7888(5) 0.3651(6) 0.042(3) Uani 1 1 d . .
O102 O -0.1025(6) 0.7309(5) 0.2812(5) 0.027(3) Uani 1 1 d . .
O103 O -0.0817(6) 0.7092(5) 0.3939(5) 0.030(3) Uani 1 1 d . .
O104 O -0.2121(6) 0.6447(5) 0.4076(5) 0.028(3) Uani 1 1 d . .
O105 O -0.3346(6) 0.6716(6) 0.3639(5) 0.038(3) Uani 1 1 d . .
O106 O -0.2310(6) 0.6662(5) 0.2953(5) 0.026(2) Uani 1 1 d . .
O107 O -0.3491(6) 0.5376(5) 0.3521(5) 0.026(2) Uani 1 1 d . .
O108 O -0.3657(6) 0.5659(5) 0.2447(5) 0.033(3) Uani 1 1 d . .
O109 O -0.2293(7) 0.7086(6) 0.1846(6) 0.040(3) Uani 1 1 d . .
O110 O -0.1444(6) 0.6346(5) 0.1629(5) 0.027(3) Uani 1 1 d . .
O111 O -0.4103(6) 0.3958(6) 0.3357(5) 0.035(3) Uani 1 1 d . .
O112 O -0.3964(6) 0.4377(5) 0.2309(5) 0.031(3) Uani 1 1 d . .
O113 O -0.4277(6) 0.4663(6) 0.1141(5) 0.034(3) Uani 1 1 d . .
O114 O -0.2775(6) 0.5705(5) 0.1743(5) 0.027(3) Uani 1 1 d . .
O115 O -0.3095(6) 0.4326(5) 0.1504(5) 0.028(3) Uani 1 1 d . .
O116 O -0.2581(5) 0.3346(5) 0.1810(5) 0.024(2) Uani 1 1 d . .
O117 O -0.0131(6) 0.6724(4) 0.2493(5) 0.025(2) Uani 1 1 d . .
O401 O 0.2239(7) -0.0028(5) 0.0607(5) 0.038(3) Uani 1 1 d . .
O402 O -0.5424(6) 0.3417(5) 0.1712(6) 0.040(3) Uani 1 1 d . .
O403 O 0.2630(6) 0.4603(5) -0.0310(5) 0.036(3) Uani 1 1 d . .
O404 O 0.3154(6) 0.5751(5) 0.1022(6) 0.038(3) Uani 1 1 d . .
O405 O 0.0775(7) -0.0917(6) 0.1034(7) 0.056(4) Uani 1 1 d . .
O406 O -0.3910(7) 0.3930(5) 0.0044(5) 0.038(3) Uani 1 1 d . .
O407 O -0.2231(7) 0.4275(6) -0.2478(6) 0.044(3) Uani 1 1 d . .
O408 O -0.1238(7) 0.3491(6) -0.2852(7) 0.051(4) Uani 1 1 d . .
O409 O -0.0851(7) 0.7256(6) 0.1016(6) 0.044(3) Uani 1 1 d . .
O410 O 0.0538(7) 0.3427(7) 0.3713(6) 0.051(3) Uani 1 1 d . .
O411 O 0.4209(8) 0.5004(7) 0.0715(7) 0.058(4) Uani 1 1 d . .
O412 O 0.0673(7) 0.7683(6) 0.2005(6) 0.043(3) Uani 1 1 d . .
O413 O 0.3139(11) 0.0500(9) -0.0170(10) 0.015(4) Uiso 0.5 1 d . P
O414 O -0.0456(9) 0.1225(8) -0.1343(8) 0.071(5) Uiso 1 1 d . .
O415 O -0.3233(14) -0.1570(12) -0.2826(12) 0.113(8) Uiso 1 1 d . .
O416 O -0.5332(9) 0.2980(7) 0.0443(8) 0.074(4) Uiso 1 1 d . .
O417 O 0.2942(10) 0.3982(8) 0.4952(8) 0.085(5) Uiso 1 1 d . .
O418 O -0.4816(10) 0.0979(8) -0.4378(8) 0.087(5) Uiso 1 1 d . .
O419 O 0.1809(10) 0.1684(8) -0.1366(9) 0.094(6) Uiso 1 1 d . .
O420 O -0.4549(10) 0.2153(8) 0.0405(9) 0.085(5) Uiso 1 1 d . .
O421 O -0.6315(10) 0.1726(8) -0.0512(9) 0.087(5) Uiso 1 1 d . .
O422 O -0.4456(11) 0.6095(9) 0.1603(9) 0.094(6) Uiso 1 1 d . .
O423 O -0.1518(10) 0.8084(8) 0.4059(9) 0.093(5) Uiso 1 1 d . .
O424 O 0.5775(12) 0.7267(10) 0.2660(11) 0.122(7) Uiso 1 1 d . .
O425 O 0.3383(13) 0.5785(11) 0.5181(12) 0.135(8) Uiso 1 1 d . .
O426 O -0.2106(12) 0.0657(10) 0.0912(10) 0.113(7) Uiso 1 1 d . .
O427 O -0.1140(15) 0.2437(12) 0.3106(13) 0.157(9) Uiso 1 1 d . .
O428 O 0.3751(14) 0.6077(12) 0.3775(12) 0.148(9) Uiso 1 1 d . .
O429 O 0.1321(13) 0.9117(11) 0.3447(12) 0.135(8) Uiso 1 1 d . .
O430 O -0.0419(13) 0.8425(11) 0.2384(12) 0.134(8) Uiso 1 1 d . .
O431 O -0.4888(14) 0.5197(12) 0.3508(12) 0.149(9) Uiso 1 1 d . .
O432 O -0.2427(13) 0.1637(11) 0.1865(12) 0.138(8) Uiso 1 1 d . .
O433 O 0.4481(10) 0.3997(8) -0.0247(9) 0.091(5) Uiso 1 1 d . .
O434 O 0.3083(14) 0.1457(11) -0.2212(12) 0.144(8) Uiso 1 1 d . .
O435 O 0.0738(12) -0.0107(10) -0.1739(11) 0.124(7) Uiso 1 1 d . .
O436 O -0.1475(11) -0.0699(9) -0.3161(9) 0.100(6) Uiso 1 1 d . .
O437 O -0.5808(15) -0.2613(12) -0.1820(13) 0.159(9) Uiso 1 1 d . .
O438 O -0.4619(16) -0.2059(13) -0.3412(14) 0.171(10) Uiso 1 1 d . .
O439 O -0.1892(13) 0.2310(11) -0.4481(12) 0.136(8) Uiso 1 1 d . .
O440 O 0.1889(16) 0.6966(13) 0.5823(14) 0.059(8) Uiso 0.5 1 d . P
O441 O 0.1023(18) 0.7914(14) 0.5291(15) 0.073(9) Uiso 0.5 1 d . P
O442 O -0.2690(19) 0.8235(16) 0.3373(17) 0.083(10) Uiso 0.5 1 d . P
O443 O 0.524(2) 0.3692(16) 0.4447(17) 0.089(11) Uiso 0.5 1 d . P
O444 O 0.2335(19) 0.0778(16) -0.0727(17) 0.110(11) Uiso 0.6 1 d . P
O445 O -0.1990(19) -0.0395(16) 0.2258(17) 0.083(10) Uiso 0.5 1 d . P
O446 O -0.6197(18) -0.1185(15) -0.3131(16) 0.077(9) Uiso 0.5 1 d . P
O447 O -0.3945(15) 0.0344(12) -0.5004(13) 0.054(7) Uiso 0.5 1 d . P
O448 O -0.7360(19) -0.0531(16) -0.2297(17) 0.086(10) Uiso 0.5 1 d . P
O449 O -0.305(2) 0.2974(19) -0.399(2) 0.109(13) Uiso 0.5 1 d . P
O450 O 0.0076(14) 0.8276(11) 0.6463(12) 0.143(8) Uiso 1 1 d . .
O451 O -0.1990(16) 0.3840(13) 0.6438(14) 0.166(10) Uiso 1 1 d . .
O452 O 0.3515(19) 0.5369(16) 0.0339(17) 0.025(8) Uiso 0.3 1 d . P
O453 O 0.3474(19) 0.0597(16) 0.0105(17) 0.071(10) Uiso 0.5 1 d . P
O454 O -0.287(2) -0.0062(19) -0.427(2) 0.081(12) Uiso 0.4 1 d . P
O455 O -0.4071(12) 0.2531(10) 0.0845(10) 0.043(5) Uiso 0.6 1 d . P
O456 O 0.429(2) 0.4858(19) 0.471(2) 0.047(11) Uiso 0.3 1 d . P
O457 O 0.158(3) -0.081(3) -0.018(3) 0.090(18) Uiso 0.3 1 d . P
O458 O -0.5428(16) 0.1036(14) 0.0494(14) 0.063(8) Uiso 0.5 1 d . P
O459 O -0.005(2) 0.1717(18) -0.1741(19) 0.105(12) Uiso 0.5 1 d . P
O460 O 0.259(2) 0.6788(19) 0.517(2) 0.046(11) Uiso 0.3 1 d . P
O461 O -0.352(3) 0.130(2) -0.552(2) 0.066(14) Uiso 0.3 1 d . P
O462 O -0.511(3) -0.212(2) -0.486(2) 0.069(14) Uiso 0.3 1 d . P
O463 O 0.332(4) 0.235(3) 0.433(3) 0.10(2) Uiso 0.3 1 d . P
O464 O -0.169(3) -0.091(3) -0.448(3) 0.088(17) Uiso 0.3 1 d . P
O465 O -0.391(3) 0.249(2) 0.309(2) 0.064(13) Uiso 0.3 1 d . P
O466 O 0.002(3) 0.885(3) 0.495(3) 0.086(17) Uiso 0.3 1 d . P
O467 O -0.094(4) 0.865(3) 0.287(3) 0.11(2) Uiso 0.3 1 d . P
O468 O -0.481(3) 0.599(3) 0.199(3) 0.091(18) Uiso 0.3 1 d . P
O469 O -0.018(3) 0.881(3) 0.627(3) 0.087(17) Uiso 0.3 1 d . P
O470 O -0.289(2) -0.136(2) -0.285(2) 0.091(13) Uiso 0.5 1 d . P
O471 O -0.309(3) -0.109(2) -0.409(3) 0.074(15) Uiso 0.3 1 d . P
O472 O -0.010(4) 0.007(3) -0.266(4) 0.12(2) Uiso 0.3 1 d . P
O473 O 0.357(3) 0.315(2) 0.469(2) 0.064(13) Uiso 0.3 1 d . P
O474 O 0.544(4) 0.447(3) 0.439(3) 0.10(2) Uiso 0.3 1 d . P
O475 O -0.771(4) -0.018(3) -0.416(3) 0.11(2) Uiso 0.3 1 d . P
Si1 Si -0.3585(2) 0.14118(19) -0.1740(2) 0.0169(9) Uani 1 1 d . .
Si2 Si -0.1730(2) 0.5395(2) 0.2937(2) 0.0184(9) Uani 1 1 d . .
Si3 Si 0.1639(2) 0.28446(19) 0.1648(2) 0.0163(9) Uani 1 1 d . .
W1 W 0.14462(3) 0.39823(3) 0.08888(3) 0.02096(14) Uani 1 1 d . .
W2 W -0.08734(3) 0.57510(3) 0.17837(3) 0.02149(14) Uani 1 1 d . .
W3 W 0.27167(4) 0.19041(3) 0.11859(3) 0.02490(15) Uani 1 1 d . .
W4 W -0.21522(3) 0.29822(3) -0.14682(3) 0.02118(14) Uani 1 1 d . .
W5 W 0.11397(4) 0.11015(3) 0.14842(3) 0.02428(15) Uani 1 1 d . .
W6 W 0.17709(4) 0.24985(3) 0.31138(3) 0.02502(15) Uani 1 1 d . .
W7 W 0.25658(4) 0.31778(3) 0.04758(3) 0.02501(15) Uani 1 1 d . .
W8 W 0.23044(4) 0.41618(3) 0.32364(3) 0.02425(15) Uani 1 1 d . .
W9 W -0.11088(4) 0.67077(3) 0.45575(3) 0.02738(16) Uani 1 1 d . .
W10 W -0.38391(4) 0.25236(3) -0.25838(3) 0.02689(15) Uani 1 1 d . .
W11 W 0.33715(4) 0.33301(3) 0.28669(3) 0.02532(15) Uani 1 1 d . .
W12 W -0.27925(4) 0.16871(3) -0.30063(3) 0.02721(16) Uani 1 1 d . .
W13 W 0.10618(4) 0.14773(3) 0.01096(3) 0.02300(15) Uani 1 1 d . .
W14 W -0.00158(4) 0.59233(3) 0.41348(3) 0.02519(15) Uani 1 1 d . .
W15 W 0.31633(4) 0.44567(3) 0.19677(3) 0.02560(15) Uani 1 1 d . .
W16 W -0.52231(4) 0.05972(3) -0.14101(3) 0.02723(16) Uani 1 1 d . .
W17 W -0.33979(4) 0.44944(3) 0.31760(3) 0.02729(16) Uani 1 1 d . .
W18 W -0.19632(4) 0.65897(3) 0.21906(3) 0.02747(16) Uani 1 1 d . .
W19 W -0.00766(4) 0.20379(3) 0.18802(3) 0.02419(15) Uani 1 1 d . .
W20 W -0.25444(4) 0.04783(3) -0.22242(3) 0.02547(15) Uani 1 1 d . .
W21 W -0.15868(4) 0.50379(3) 0.43932(3) 0.02679(15) Uani 1 1 d . .
W22 W -0.42274(4) -0.00164(3) -0.32984(3) 0.02851(16) Uani 1 1 d . .
W23 W -0.40857(4) -0.03248(3) -0.18824(3) 0.02690(16) Uani 1 1 d . .
W24 W -0.02991(4) 0.70750(3) 0.32884(3) 0.02725(16) Uani 1 1 d . .
W25 W -0.35016(4) 0.49098(3) 0.18225(3) 0.02637(15) Uani 1 1 d . .
W26 W -0.33155(4) 0.11606(3) -0.02167(3) 0.02403(15) Uani 1 1 d . .
W27 W -0.21394(4) 0.36412(3) 0.27041(3) 0.02452(15) Uani 1 1 d . .
W28 W -0.29737(4) 0.61606(3) 0.33223(3) 0.02793(16) Uani 1 1 d . .
W29 W -0.54057(4) 0.09155(3) -0.28225(3) 0.02915(16) Uani 1 1 d . .
W30 W -0.47432(4) 0.22395(3) -0.13409(3) 0.02509(15) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Fe7 Cl1 K2 96.6(5) . 2_565
Fe7 Cl1 K5 105.9(5) . 2_565
K2 Cl1 K5 114.26(16) 2_565 2_565
Fe7 Cl1 K1 106.8(6) . 2_565
K2 Cl1 K1 114.83(15) 2_565 2_565
K5 Cl1 K1 115.83(16) 2_565 2_565
O39 Fe1 O40 99.4(4) . .
O39 Fe1 O43 96.5(4) . .
O40 Fe1 O43 88.7(4) . .
O39 Fe1 O41 93.6(4) . .
O40 Fe1 O41 167.0(4) . .
O43 Fe1 O41 89.0(4) . .
O39 Fe1 O42 99.3(4) . .
O40 Fe1 O42 86.2(4) . .
O43 Fe1 O42 163.9(4) . .
O41 Fe1 O42 92.6(4) . .
O39 Fe1 O58 176.5(4) . .
O40 Fe1 O58 80.5(4) . .
O43 Fe1 O58 87.0(4) . .
O41 Fe1 O58 86.6(4) . .
O42 Fe1 O58 77.2(4) . .
O39 Fe1 K5 52.7(3) . 2_565
O40 Fe1 K5 83.0(3) . 2_565
O43 Fe1 K5 46.3(3) . 2_565
O41 Fe1 K5 104.5(3) . 2_565
O42 Fe1 K5 147.3(3) . 2_565
O58 Fe1 K5 130.6(2) . 2_565
O39 Fe1 K6 83.2(3) . 2
O40 Fe1 K6 130.1(3) . 2
O43 Fe1 K6 141.0(3) . 2
O41 Fe1 K6 52.2(3) . 2
O42 Fe1 K6 44.8(3) . 2
O58 Fe1 K6 94.2(3) . 2
K5 Fe1 K6 130.91(15) 2_565 2
O86 Fe2 O21 99.8(4) . .
O86 Fe2 O4 93.5(4) . .
O21 Fe2 O4 92.2(4) . .
O86 Fe2 O38 99.9(4) . .
O21 Fe2 O38 85.5(4) . .
O4 Fe2 O38 166.6(4) . .
O86 Fe2 O10 97.8(4) . .
O21 Fe2 O10 162.2(4) . .
O4 Fe2 O10 88.9(4) . .
O38 Fe2 O10 89.4(4) . .
O86 Fe2 O6 175.8(4) . .
O21 Fe2 O6 76.0(4) . .
O4 Fe2 O6 87.2(4) . .
O38 Fe2 O6 79.5(4) . .
O10 Fe2 O6 86.3(4) . .
O86 Fe2 K2 52.8(3) . 2_565
O21 Fe2 K2 148.1(3) . 2_565
O4 Fe2 K2 104.3(3) . 2_565
O38 Fe2 K2 84.2(3) . 2_565
O10 Fe2 K2 47.4(3) . 2_565
O6 Fe2 K2 131.0(3) . 2_565
O39 Fe3 O38 98.9(4) . .
O39 Fe3 O32 94.3(4) . .
O38 Fe3 O32 166.8(4) . .
O39 Fe3 O30 96.8(4) . .
O38 Fe3 O30 89.5(4) . .
O32 Fe3 O30 89.3(4) . .
O39 Fe3 O22 98.9(4) . .
O38 Fe3 O22 85.1(4) . .
O32 Fe3 O22 92.5(4) . .
O30 Fe3 O22 164.1(4) . .
O39 Fe3 O6 175.9(4) . .
O38 Fe3 O6 79.9(4) . .
O32 Fe3 O6 86.9(4) . .
O30 Fe3 O6 87.1(4) . .
O22 Fe3 O6 77.2(4) . .
O39 Fe3 K5 53.1(3) . 2_565
O38 Fe3 K5 82.8(3) . 2_565
O32 Fe3 K5 105.7(3) . 2_565
O30 Fe3 K5 46.4(3) . 2_565
O22 Fe3 K5 146.8(3) . 2_565
O6 Fe3 K5 130.3(2) . 2_565
O78 Fe4 O73 94.9(4) . .
O78 Fe4 O59 97.8(4) . .
O73 Fe4 O59 89.2(4) . .
O78 Fe4 O40 100.6(4) . .
O73 Fe4 O40 164.5(4) . .
O59 Fe4 O40 87.9(4) . .
O78 Fe4 O60 101.1(4) . .
O73 Fe4 O60 91.8(4) . .
O59 Fe4 O60 160.9(4) . .
O40 Fe4 O60 86.1(4) . .
O78 Fe4 O58 176.4(4) . .
O73 Fe4 O58 85.5(4) . .
O59 Fe4 O58 85.8(4) . .
O40 Fe4 O58 79.1(4) . .
O60 Fe4 O58 75.3(4) . .
O78 Fe4 K3 46.8(3) . 2_566
O73 Fe4 K3 48.9(3) . 2_566
O59 Fe4 K3 102.2(3) . 2_566
O40 Fe4 K3 146.5(3) . 2_566
O60 Fe4 K3 92.7(3) . 2_566
O58 Fe4 K3 133.0(3) . 2_566
O78 Fe4 K1 53.0(3) . 2_565
O73 Fe4 K1 104.3(3) . 2_565
O59 Fe4 K1 46.8(3) . 2_565
O40 Fe4 K1 84.6(3) . 2_565
O60 Fe4 K1 149.9(3) . 2_565
O58 Fe4 K1 130.4(3) . 2_565
K3 Fe4 K1 79.82(15) 2_566 2_565
O78 Fe4 K3' 45.9(4) . 2_566
O73 Fe4 K3' 50.3(4) . 2_566
O59 Fe4 K3' 86.6(5) . 2_566
O40 Fe4 K3' 144.6(4) . 2_566
O60 Fe4 K3' 108.5(5) . 2_566
O58 Fe4 K3' 135.3(4) . 2_566
K3 Fe4 K3' 15.8(3) 2_566 2_566
K1 Fe4 K3' 66.4(3) 2_565 2_566
O86 Fe5 O115 92.3(5) . .
O86 Fe5 O79 100.1(4) . .
O115 Fe5 O79 167.6(4) . .
O86 Fe5 O90 95.6(4) . .
O115 Fe5 O90 89.2(4) . .
O79 Fe5 O90 88.5(4) . .
O86 Fe5 O116 102.0(4) . .
O115 Fe5 O116 92.6(4) . .
O79 Fe5 O116 85.9(4) . .
O90 Fe5 O116 162.2(4) . .
O86 Fe5 O82 177.7(4) . .
O115 Fe5 O82 88.7(4) . .
O79 Fe5 O82 79.0(4) . .
O90 Fe5 O82 86.5(4) . .
O116 Fe5 O82 75.8(4) . .
O86 Fe5 K2 52.0(3) . 2_565
O115 Fe5 K2 103.5(3) . 2_565
O79 Fe5 K2 83.6(3) . 2_565
O90 Fe5 K2 46.0(3) . 2_565
O116 Fe5 K2 149.2(3) . 2_565
O82 Fe5 K2 129.8(2) . 2_565
O78 Fe6 O79 99.3(4) . .
O78 Fe6 O84 96.2(4) . .
O79 Fe6 O84 164.4(4) . .
O78 Fe6 O81 98.5(4) . .
O79 Fe6 O81 88.4(4) . .
O84 Fe6 O81 89.2(4) . .
O78 Fe6 O80 99.5(4) . .
O79 Fe6 O80 86.5(4) . .
O84 Fe6 O80 91.0(4) . .
O81 Fe6 O80 161.8(4) . .
O78 Fe6 O82 175.1(4) . .
O79 Fe6 O82 78.7(4) . .
O84 Fe6 O82 85.8(4) . .
O81 Fe6 O82 86.0(4) . .
O80 Fe6 O82 75.9(4) . .
O78 Fe6 K3 47.7(3) . 2_566
O79 Fe6 K3 146.1(3) . 2_566
O84 Fe6 K3 49.3(3) . 2_566
O81 Fe6 K3 102.6(3) . 2_566
O80 Fe6 K3 91.2(3) . 2_566
O82 Fe6 K3 133.4(3) . 2_566
O78 Fe6 K1 53.1(3) . 2_565
O79 Fe6 K1 84.2(3) . 2_565
O84 Fe6 K1 105.4(3) . 2_565
O81 Fe6 K1 47.4(3) . 2_565
O80 Fe6 K1 148.8(3) . 2_565
O82 Fe6 K1 130.7(3) . 2_565
K3 Fe6 K1 80.44(15) 2_566 2_565
O78 Fe6 K3' 46.3(4) . 2_566
O79 Fe6 K3' 144.0(5) . 2_566
O84 Fe6 K3' 51.2(5) . 2_566
O81 Fe6 K3' 87.0(4) . 2_566
O80 Fe6 K3' 107.2(5) . 2_566
O82 Fe6 K3' 136.5(4) . 2_566
K3 Fe6 K3' 15.9(3) 2_566 2_566
K1 Fe6 K3' 66.8(4) 2_565 2_566
O78 Fe6 K8 84.9(3) . .
O79 Fe6 K8 129.5(3) . .
O84 Fe6 K8 51.9(3) . .
O81 Fe6 K8 141.1(3) . .
O80 Fe6 K8 43.7(3) . .
O82 Fe6 K8 92.8(3) . .
K3 Fe6 K8 52.4(2) 2_566 .
K1 Fe6 K8 132.17(16) 2_565 .
K3' Fe6 K8 67.4(4) 2_566 .
O38 Fe7 O79 128.7(10) . .
O38 Fe7 Cl1 105.7(9) . .
O79 Fe7 Cl1 104.0(8) . .
O38 Fe7 O40 109.7(9) . .
O79 Fe7 O40 109.0(10) . .
Cl1 Fe7 O40 93.9(7) . .
O38 Fe7 Cl2 79.9(6) . .
O79 Fe7 Cl2 79.3(6) . .
Cl1 Fe7 Cl2 168.3(9) . .
O40 Fe7 Cl2 74.5(6) . .
O38 Fe7 K2 84.0(7) . 2_565
O79 Fe7 K2 83.4(6) . 2_565
Cl1 Fe7 K2 50.9(4) . 2_565
O40 Fe7 K2 144.8(6) . 2_565
Cl2 Fe7 K2 140.7(6) . 2_565
O19 K1 O59 120.4(3) . 2_565
O19 K1 O81 119.6(3) . 2_565
O59 K1 O81 120.0(3) 2_565 2_565
O19 K1 O407 81.1(3) . .
O59 K1 O407 66.6(3) 2_565 .
O81 K1 O407 121.4(3) 2_565 .
O19 K1 O408 80.0(3) . .
O59 K1 O408 123.3(4) 2_565 .
O81 K1 O408 65.6(3) 2_565 .
O407 K1 O408 65.8(4) . .
O19 K1 O78 168.7(3) . 2_565
O59 K1 O78 60.4(3) 2_565 2_565
O81 K1 O78 60.4(3) 2_565 2_565
O407 K1 O78 89.5(3) . 2_565
O408 K1 O78 90.4(3) . 2_565
O19 K1 Cl1 105.5(3) . 2_565
O59 K1 Cl1 82.9(2) 2_565 2_565
O81 K1 Cl1 84.1(2) 2_565 2_565
O407 K1 Cl1 147.0(3) . 2_565
O408 K1 Cl1 146.7(3) . 2_565
O78 K1 Cl1 85.8(2) 2_565 2_565
O19 K1 O85 74.2(3) . 2_565
O59 K1 O85 150.3(3) 2_565 2_565
O81 K1 O85 54.5(3) 2_565 2_565
O407 K1 O85 143.0(3) . 2_565
O408 K1 O85 82.9(3) . 2_565
O78 K1 O85 110.8(3) 2_565 2_565
Cl1 K1 O85 67.8(2) 2_565 2_565
O19 K1 O50 74.7(3) . 2_565
O59 K1 O50 54.1(3) 2_565 2_565
O81 K1 O50 151.1(3) 2_565 2_565
O407 K1 O50 84.1(3) . 2_565
O408 K1 O50 143.2(3) . 2_565
O78 K1 O50 110.8(3) 2_565 2_565
Cl1 K1 O50 67.3(2) 2_565 2_565
O85 K1 O50 114.5(3) 2_565 2_565
O19 K1 Fe6 151.3(2) . 2_565
O59 K1 Fe6 88.3(2) 2_565 2_565
O81 K1 Fe6 31.7(2) 2_565 2_565
O407 K1 Fe6 111.4(3) . 2_565
O408 K1 Fe6 82.0(3) . 2_565
O78 K1 Fe6 29.66(19) 2_565 2_565
Cl1 K1 Fe6 78.44(11) 2_565 2_565
O85 K1 Fe6 81.6(2) 2_565 2_565
O50 K1 Fe6 130.6(2) 2_565 2_565
O19 K1 Fe4 151.7(2) . 2_565
O59 K1 Fe4 31.3(2) 2_565 2_565
O81 K1 Fe4 88.6(2) 2_565 2_565
O407 K1 Fe4 82.0(2) . 2_565
O408 K1 Fe4 113.1(3) . 2_565
O78 K1 Fe4 30.04(19) 2_565 2_565
Cl1 K1 Fe4 77.68(10) 2_565 2_565
O85 K1 Fe4 130.5(2) 2_565 2_565
O50 K1 Fe4 81.03(19) 2_565 2_565
Fe6 K1 Fe4 56.92(7) 2_565 2_565
O19 K1 W1 96.6(2) . 2_565
O59 K1 W1 27.3(2) 2_565 2_565
O81 K1 W1 142.1(2) 2_565 2_565
O407 K1 W1 72.0(2) . 2_565
O408 K1 W1 137.7(3) . 2_565
O78 K1 W1 86.4(2) 2_565 2_565
Cl1 K1 W1 75.12(10) 2_565 2_565
O85 K1 W1 137.2(2) 2_565 2_565
O50 K1 W1 26.83(18) 2_565 2_565
Fe6 K1 W1 111.71(9) 2_565 2_565
Fe4 K1 W1 56.40(6) 2_565 2_565
O50 K2 O90 121.0(3) . 2_565
O50 K2 O10 119.9(3) . 2_565
O90 K2 O10 118.8(3) 2_565 2_565
O50 K2 O404 81.5(3) . .
O90 K2 O404 118.8(3) 2_565 .
O10 K2 O404 65.4(3) 2_565 .
O50 K2 O403 81.2(3) . .
O90 K2 O403 66.8(3) 2_565 .
O10 K2 O403 118.4(3) 2_565 .
O404 K2 O403 61.8(3) . .
O50 K2 Cl1 106.3(3) . 2_565
O90 K2 Cl1 84.2(2) 2_565 2_565
O10 K2 Cl1 84.6(2) 2_565 2_565
O404 K2 Cl1 148.1(3) . 2_565
O403 K2 Cl1 149.0(3) . 2_565
O50 K2 O86 167.9(3) . 2_565
O90 K2 O86 59.1(3) 2_565 2_565
O10 K2 O86 60.2(3) 2_565 2_565
O404 K2 O86 88.2(3) . 2_565
O403 K2 O86 88.4(3) . 2_565
Cl1 K2 O86 85.7(2) 2_565 2_565
O50 K2 O85 74.5(3) . 2_565
O90 K2 O85 55.3(3) 2_565 2_565
O10 K2 O85 153.0(3) 2_565 2_565
O404 K2 O85 141.6(3) . 2_565
O403 K2 O85 84.9(3) . 2_565
Cl1 K2 O85 68.9(2) 2_565 2_565
O86 K2 O85 110.9(3) 2_565 2_565
O50 K2 O19 74.6(3) . 2_565
O90 K2 O19 152.4(3) 2_565 2_565
O10 K2 O19 54.4(3) 2_565 2_565
O404 K2 O19 84.3(3) . 2_565
O403 K2 O19 140.8(3) . 2_565
Cl1 K2 O19 68.9(2) 2_565 2_565
O86 K2 O19 110.8(3) 2_565 2_565
O85 K2 O19 116.5(3) 2_565 2_565
O50 K2 W2 97.1(2) . 2_565
O90 K2 W2 27.90(19) 2_565 2_565
O10 K2 W2 142.1(2) 2_565 2_565
O404 K2 W2 134.3(2) . 2_565
O403 K2 W2 72.8(2) . 2_565
Cl1 K2 W2 76.37(11) 2_565 2_565
O86 K2 W2 85.6(2) 2_565 2_565
O85 K2 W2 27.51(19) 2_565 2_565
O19 K2 W2 139.7(2) 2_565 2_565
O50 K2 Fe2 151.2(2) . 2_565
O90 K2 Fe2 87.6(2) 2_565 2_565
O10 K2 Fe2 31.31(19) 2_565 2_565
O404 K2 Fe2 81.1(2) . 2_565
O403 K2 Fe2 110.1(2) . 2_565
Cl1 K2 Fe2 78.06(10) 2_565 2_565
O86 K2 Fe2 30.1(2) 2_565 2_565
O85 K2 Fe2 131.4(2) 2_565 2_565
O19 K2 Fe2 80.98(18) 2_565 2_565
W2 K2 Fe2 111.54(9) 2_565 2_565
O50 K2 W4 96.8(2) . 2_565
O90 K2 W4 141.2(2) 2_565 2_565
O10 K2 W4 27.29(19) 2_565 2_565
O404 K2 W4 72.0(2) . 2_565
O403 K2 W4 133.6(2) . 2_565
Cl1 K2 W4 76.35(10) 2_565 2_565
O86 K2 W4 85.9(2) 2_565 2_565
O85 K2 W4 139.5(2) 2_565 2_565
O19 K2 W4 27.16(17) 2_565 2_565
W2 K2 W4 151.95(10) 2_565 2_565
Fe2 K2 W4 55.90(6) 2_565 2_565
K3 K3' O451 173(2) . .
K3 K3' O72 85.0(14) . 2_566
O451 K3' O72 97.7(13) . 2_566
K3 K3' O94 82.7(15) . 2_566
O451 K3' O94 90.4(12) . 2_566
O72 K3' O94 127.7(8) 2_566 2_566
K3 K3' O78 69.2(12) . 2_566
O451 K3' O78 115.6(14) . 2_566
O72 K3' O78 111.5(7) 2_566 2_566
O94 K3' O78 110.9(8) 2_566 2_566
K3 K3' O96 56.7(12) . .
O451 K3' O96 117.9(13) . .
O72 K3' O96 69.6(6) 2_566 .
O94 K3' O96 61.3(5) 2_566 .
O78 K3' O96 125.7(9) 2_566 .
K3 K3' O73 65.8(12) . 2_566
O451 K3' O73 121.2(14) . 2_566
O72 K3' O73 55.2(5) 2_566 2_566
O94 K3' O73 148.4(10) 2_566 2_566
O78 K3' O73 56.3(5) 2_566 2_566
O96 K3' O73 100.8(7) . 2_566
K3 K3' O84 64.2(13) . 2_566
O451 K3' O84 113.2(13) . 2_566
O72 K3' O84 149.1(9) 2_566 2_566
O94 K3' O84 54.4(5) 2_566 2_566
O78 K3' O84 56.6(5) 2_566 2_566
O96 K3' O84 93.9(8) . 2_566
O73 K3' O84 105.8(7) 2_566 2_566
K3 K3' O407 140.7(16) . 1_556
O451 K3' O407 46.5(11) . 1_556
O72 K3' O407 82.2(7) 2_566 1_556
O94 K3' O407 133.4(8) 2_566 1_556
O78 K3' O407 81.4(6) 2_566 1_556
O96 K3' O407 146.1(8) . 1_556
O73 K3' O407 76.5(6) 2_566 1_556
O84 K3' O407 119.6(7) 2_566 1_556
K3 K3' W8 78.1(13) . 2_566
O451 K3' W8 107.3(13) . 2_566
O72 K3' W8 26.7(3) 2_566 2_566
O94 K3' W8 148.7(8) 2_566 2_566
O78 K3' W8 85.0(5) 2_566 2_566
O96 K3' W8 87.5(6) . 2_566
O73 K3' W8 29.0(3) 2_566 2_566
O84 K3' W8 132.9(7) 2_566 2_566
O407 K3' W8 73.9(5) 1_556 2_566
K3 K3' W14 76.0(14) . 2_566
O451 K3' W14 98.6(12) . 2_566
O72 K3' W14 149.1(9) 2_566 2_566
O94 K3' W14 26.7(3) 2_566 2_566
O78 K3' W14 84.5(6) 2_566 2_566
O96 K3' W14 79.6(6) . 2_566
O73 K3' W14 132.3(7) 2_566 2_566
O84 K3' W14 28.3(3) 2_566 2_566
O407 K3' W14 127.5(7) 1_556 2_566
W8 K3' W14 154.1(7) 2_566 2_566
K3 K3' Fe6 67.8(12) . 2_566
O451 K3' Fe6 113.7(13) . 2_566
O72 K3' Fe6 135.9(7) 2_566 2_566
O94 K3' Fe6 84.0(6) 2_566 2_566
O78 K3' Fe6 27.2(3) 2_566 2_566
O96 K3' Fe6 116.1(8) . 2_566
O73 K3' Fe6 81.6(5) 2_566 2_566
O84 K3' Fe6 30.0(3) 2_566 2_566
O407 K3' Fe6 97.1(6) 1_556 2_566
W8 K3' Fe6 110.6(5) 2_566 2_566
W14 K3' Fe6 57.5(3) 2_566 2_566
K3' K3 O96 103.1(13) . .
K3' K3 O78 89.4(13) . 2_566
O96 K3 O78 166.9(5) . 2_566
K3' K3 O84 95.4(14) . 2_566
O96 K3 O84 111.9(4) . 2_566
O78 K3 O84 62.1(3) 2_566 2_566
K3' K3 O73 93.7(14) . 2_566
O96 K3 O73 120.7(4) . 2_566
O78 K3 O73 61.5(3) 2_566 2_566
O84 K3 O73 122.6(4) 2_566 2_566
K3' K3 O451 4.5(14) . .
O96 K3 O451 99.8(7) . .
O78 K3 O451 92.4(6) 2_566 .
O84 K3 O451 93.9(7) 2_566 .
O73 K3 O451 98.1(6) 2_566 .
K3' K3 O72 73.4(13) . 2_566
O96 K3 O72 74.2(4) . 2_566
O78 K3 O72 113.9(4) 2_566 2_566
O84 K3 O72 168.4(5) 2_566 2_566
O73 K3 O72 57.0(3) 2_566 2_566
O451 K3 O72 75.1(6) . 2_566
K3' K3 O94 76.4(13) . 2_566
O96 K3 O94 65.4(4) . 2_566
O78 K3 O94 114.8(4) 2_566 2_566
O84 K3 O94 56.7(3) 2_566 2_566
O73 K3 O94 169.7(4) 2_566 2_566
O451 K3 O94 72.1(6) . 2_566
O72 K3 O94 121.3(4) 2_566 2_566
K3' K3 O410 154.0(14) . 2_566
O96 K3 O410 84.0(4) . 2_566
O78 K3 O410 86.5(4) 2_566 2_566
O84 K3 O410 105.1(4) 2_566 2_566
O73 K3 O410 61.9(3) 2_566 2_566
O451 K3 O410 157.7(7) . 2_566
O72 K3 O410 85.0(4) 2_566 2_566
O94 K3 O410 128.3(4) 2_566 2_566
K3' K3 K8 154.6(14) . 2_566
O96 K3 K8 80.4(4) . 2_566
O78 K3 K8 86.6(3) 2_566 2_566
O84 K3 K8 60.7(3) 2_566 2_566
O73 K3 K8 106.2(3) 2_566 2_566
O451 K3 K8 151.6(6) . 2_566
O72 K3 K8 130.9(4) 2_566 2_566
O94 K3 K8 82.6(3) 2_566 2_566
O410 K3 K8 50.7(3) 2_566 2_566
K3' K3 W8 85.0(13) . 2_566
O96 K3 W8 95.9(3) . 2_566
O78 K3 W8 89.1(3) 2_566 2_566
O84 K3 W8 151.1(3) 2_566 2_566
O73 K3 W8 29.1(2) 2_566 2_566
O451 K3 W8 88.3(6) . 2_566
O72 K3 W8 28.1(2) 2_566 2_566
O94 K3 W8 149.1(3) 2_566 2_566
O410 K3 W8 69.4(3) 2_566 2_566
K8 K3 W8 120.0(3) 2_566 2_566
K3' K3 W14 87.3(13) . 2_566
O96 K3 W14 87.3(3) . 2_566
O78 K3 W14 89.4(3) 2_566 2_566
O84 K3 W14 28.6(2) 2_566 2_566
O73 K3 W14 150.8(3) 2_566 2_566
O451 K3 W14 84.0(6) . 2_566
O72 K3 W14 148.9(3) 2_566 2_566
O94 K3 W14 28.2(2) 2_566 2_566
O410 K3 W14 118.3(3) 2_566 2_566
K8 K3 W14 67.6(2) 2_566 2_566
W8 K3 W14 172.1(3) 2_566 2_566
O438 K4 O437 122.1(8) . .
O438 K4 O35 75.9(6) . .
O437 K4 O35 78.5(5) . .
O438 K4 O402 154.7(6) . 2_455
O437 K4 O402 77.8(6) . 2_455
O35 K4 O402 126.8(4) . 2_455
O438 K4 O65 77.6(6) . 2
O437 K4 O65 136.9(6) . 2
O35 K4 O65 144.1(4) . 2
O402 K4 O65 77.0(3) 2_455 2
O438 K4 O51 116.9(6) . 2
O437 K4 O51 95.4(6) . 2
O35 K4 O51 63.4(3) . 2
O402 K4 O51 72.3(3) 2_455 2
O65 K4 O51 109.4(3) 2 2
O438 K4 O465 64.9(11) . 2_455
O437 K4 O465 59.2(11) . 2_455
O35 K4 O465 77.3(9) . 2_455
O402 K4 O465 126.0(9) 2_455 2_455
O65 K4 O465 112.3(9) 2 2_455
O51 K4 O465 137.3(9) 2 2_455
O438 K4 O111 91.0(6) . 2_455
O437 K4 O111 79.6(6) . 2_455
O35 K4 O111 142.7(4) . 2_455
O402 K4 O111 76.6(3) 2_455 2_455
O65 K4 O111 60.9(3) 2 2_455
O51 K4 O111 148.8(3) 2 2_455
O465 K4 O111 65.6(9) 2_455 2_455
O438 K4 O64 96.0(7) . 2
O437 K4 O64 140.7(6) . 2
O35 K4 O64 104.4(3) . 2
O402 K4 O64 69.3(3) 2_455 2
O65 K4 O64 55.0(3) 2 2
O51 K4 O64 54.9(3) 2 2
O465 K4 O64 160.2(10) 2_455 2
O111 K4 O64 111.8(3) 2_455 2
O438 K4 W11 87.6(6) . 2
O437 K4 W11 145.8(5) . 2
O35 K4 W11 129.5(3) . 2
O402 K4 W11 69.4(3) 2_455 2
O65 K4 W11 25.5(2) 2 2
O51 K4 W11 83.9(2) 2 2
O465 K4 W11 136.9(9) 2_455 2
O111 K4 W11 83.6(2) 2_455 2
O64 K4 W11 29.67(19) 2 2
O438 K4 W3 110.8(6) . 2
O437 K4 W3 116.4(6) . 2
O35 K4 W3 83.0(2) . 2
O402 K4 W3 66.7(2) 2_455 2
O65 K4 W3 84.2(2) 2 2
O51 K4 W3 25.2(2) 2 2
O465 K4 W3 160.2(9) 2_455 2
O111 K4 W3 134.1(3) 2_455 2
O64 K4 W3 29.78(19) 2 2
W11 K4 W3 58.76(8) 2 2
O438 K4 K12 97.1(8) . .
O437 K4 K12 33.7(7) . .
O35 K4 K12 46.7(5) . .
O402 K4 K12 107.0(5) 2_455 .
O65 K4 K12 162.0(5) 2 .
O51 K4 K12 88.4(5) 2 .
O465 K4 K12 50.8(10) 2_455 .
O111 K4 K12 102.5(5) 2_455 .
O64 K4 K12 143.0(5) 2 .
W11 K4 K12 172.2(5) 2 .
W3 K4 K12 113.6(5) 2 .
O85 K5 O30 121.3(3) . 2_565
O85 K5 O43 119.6(3) . 2_565
O30 K5 O43 118.8(3) 2_565 2_565
O85 K5 O412 82.2(3) . .
O30 K5 O412 65.1(3) 2_565 .
O43 K5 O412 119.0(3) 2_565 .
O85 K5 O409 80.8(3) . .
O30 K5 O409 118.8(3) 2_565 .
O43 K5 O409 65.8(3) 2_565 .
O412 K5 O409 63.0(3) . .
O85 K5 Cl1 106.8(3) . 2_565
O30 K5 Cl1 85.1(2) 2_565 2_565
O43 K5 Cl1 83.4(2) 2_565 2_565
O412 K5 Cl1 148.5(3) . 2_565
O409 K5 Cl1 147.2(3) . 2_565
O85 K5 O39 166.8(3) . 2_565
O30 K5 O39 60.1(3) 2_565 2_565
O43 K5 O39 59.3(3) 2_565 2_565
O412 K5 O39 87.3(3) . 2_565
O409 K5 O39 87.3(3) . 2_565
Cl1 K5 O39 86.3(2) 2_565 2_565
O85 K5 O19 75.4(3) . 2_565
O30 K5 O19 55.0(3) 2_565 2_565
O43 K5 O19 152.5(3) 2_565 2_565
O412 K5 O19 84.2(3) . 2_565
O409 K5 O19 141.7(3) . 2_565
Cl1 K5 O19 69.7(2) 2_565 2_565
O39 K5 O19 111.6(3) 2_565 2_565
O85 K5 O50 74.4(3) . 2_565
O30 K5 O50 152.5(3) 2_565 2_565
O43 K5 O50 54.3(3) 2_565 2_565
O412 K5 O50 142.3(3) . 2_565
O409 K5 O50 84.2(3) . 2_565
Cl1 K5 O50 68.1(2) 2_565 2_565
O39 K5 O50 110.3(3) 2_565 2_565
O19 K5 O50 116.7(3) 2_565 2_565
O85 K5 W4 98.0(3) . 2_565
O30 K5 W4 27.8(2) 2_565 2_565
O43 K5 W4 141.3(2) 2_565 2_565
O412 K5 W4 72.2(3) . 2_565
O409 K5 W4 134.9(3) . 2_565
Cl1 K5 W4 76.67(11) 2_565 2_565
O39 K5 W4 86.32(19) 2_565 2_565
O19 K5 W4 27.30(17) 2_565 2_565
O50 K5 W4 139.3(2) 2_565 2_565
O85 K5 W1 96.1(3) . 2_565
O30 K5 W1 141.5(2) 2_565 2_565
O43 K5 W1 27.61(19) 2_565 2_565
O412 K5 W1 134.9(3) . 2_565
O409 K5 W1 72.2(2) . 2_565
Cl1 K5 W1 75.22(11) 2_565 2_565
O39 K5 W1 85.56(19) 2_565 2_565
O19 K5 W1 139.3(2) 2_565 2_565
O50 K5 W1 26.76(18) 2_565 2_565
W4 K5 W1 151.16(11) 2_565 2_565
O85 K5 Fe3 152.2(3) . 2_565
O30 K5 Fe3 30.9(2) 2_565 2_565
O43 K5 Fe3 88.0(2) 2_565 2_565
O412 K5 Fe3 80.7(2) . 2_565
O409 K5 Fe3 110.1(2) . 2_565
Cl1 K5 Fe3 78.26(11) 2_565 2_565
O39 K5 Fe3 30.59(18) 2_565 2_565
O19 K5 Fe3 81.24(19) 2_565 2_565
O50 K5 Fe3 130.8(2) 2_565 2_565
W4 K5 Fe3 55.81(6) 2_565 2_565
W1 K5 Fe3 111.45(9) 2_565 2_565
O457 K6 O46 130.6(16) . .
O457 K6 O401 42.1(16) . .
O46 K6 O401 88.5(4) . .
O457 K6 O42 53.7(16) . 2
O46 K6 O42 168.9(4) . 2
O401 K6 O42 95.3(4) . 2
O457 K6 O56 107.6(16) . 2
O46 K6 O56 121.7(4) . 2
O401 K6 O56 149.5(4) . 2
O42 K6 O56 55.9(3) 2 2
O457 K6 O46 142.8(16) . 2
O46 K6 O46 76.6(4) . 2
O401 K6 O46 149.1(5) . 2
O42 K6 O46 95.0(3) 2 2
O56 K6 O46 54.4(3) 2 2
O457 K6 O41 90.1(16) . 2
O46 K6 O41 111.3(4) . 2
O401 K6 O41 110.3(4) . 2
O42 K6 O41 57.6(3) 2 2
O56 K6 O41 65.1(3) 2 2
O46 K6 O41 53.4(3) 2 2
O457 K6 O426 38.7(17) . 2
O46 K6 O426 130.2(5) . 2
O401 K6 O426 61.7(5) . 2
O42 K6 O426 60.3(4) 2 2
O56 K6 O426 92.2(5) 2 2
O46 K6 O426 146.6(5) 2 2
O41 K6 O426 116.1(4) 2 2
O457 K6 O405 73.9(17) . .
O46 K6 O405 85.5(4) . .
O401 K6 O405 66.0(4) . .
O42 K6 O405 86.5(4) 2 .
O56 K6 O405 116.4(4) 2 .
O46 K6 O405 85.7(4) 2 .
O41 K6 O405 51.3(3) 2 .
O426 K6 O405 112.6(5) 2 .
O457 K6 W5 134.7(16) . 2
O46 K6 W5 94.5(3) . 2
O401 K6 W5 175.7(3) . 2
O42 K6 W5 81.2(3) 2 2
O56 K6 W5 28.1(2) 2 2
O46 K6 W5 30.0(2) 2 2
O41 K6 W5 65.7(2) 2 2
O426 K6 W5 118.0(4) 2 2
O405 K6 W5 111.2(3) . 2
O457 K6 W19 76.1(16) . 2
O46 K6 W19 152.9(4) . 2
O401 K6 W19 117.9(3) . 2
O42 K6 W19 27.6(2) 2 2
O56 K6 W19 31.6(2) 2 2
O46 K6 W19 82.2(3) 2 2
O41 K6 W19 67.0(2) 2 2
O426 K6 W19 65.6(4) 2 2
O405 K6 W19 109.7(3) . 2
W5 K6 W19 59.51(12) 2 2
O457 K6 W13 129.9(16) . .
O46 K6 W13 28.7(2) . .
O401 K6 W13 93.3(3) . .
O42 K6 W13 160.3(4) 2 .
O56 K6 W13 111.3(3) 2 .
O46 K6 W13 86.5(3) 2 .
O41 K6 W13 134.6(3) 2 .
O426 K6 W13 109.2(4) 2 .
O405 K6 W13 113.3(3) . .
W5 K6 W13 90.78(18) 2 .
W19 K6 W13 134.5(3) 2 .
O48 K7 O109 83.8(4) . 2_565
O48 K7 O434 141.5(6) . .
O109 K7 O434 95.4(6) 2_565 .
O48 K7 O1 121.4(4) . 1_655
O109 K7 O1 142.7(4) 2_565 1_655
O434 K7 O1 81.2(6) . 1_655
O48 K7 O433 67.0(5) . .
O109 K7 O433 105.1(5) 2_565 .
O434 K7 O433 147.5(7) . .
O1 K7 O433 67.2(4) 1_655 .
O48 K7 O421 82.6(4) . 1_655
O109 K7 O421 143.9(5) 2_565 1_655
O434 K7 O421 75.7(6) . 1_655
O1 K7 O421 71.5(4) 1_655 1_655
O433 K7 O421 99.9(5) . 1_655
O48 K7 O419 68.9(4) . .
O109 K7 O419 65.2(4) 2_565 .
O434 K7 O419 75.9(6) . .
O1 K7 O419 146.0(5) 1_655 .
O433 K7 O419 135.7(5) . .
O421 K7 O419 78.7(5) 1_655 .
O48 K7 O422 114.1(5) . 2_565
O109 K7 O422 82.4(4) 2_565 2_565
O434 K7 O422 103.8(6) . 2_565
O1 K7 O422 62.8(4) 1_655 2_565
O433 K7 O422 55.7(5) . 2_565
O421 K7 O422 133.5(5) 1_655 2_565
O419 K7 O422 147.3(5) . 2_565
O410 K8 O95 88.4(4) . 2_566
O410 K8 O80 93.9(4) . .
O95 K8 O80 167.5(5) 2_566 .
O410 K8 O91 149.0(5) . .
O95 K8 O91 122.5(4) 2_566 .
O80 K8 O91 55.6(3) . .
O410 K8 O95 144.1(5) . .
O95 K8 O95 77.4(4) 2_566 .
O80 K8 O95 93.8(4) . .
O91 K8 O95 54.3(3) . .
O410 K8 O440 115.8(6) . 2_566
O95 K8 O440 100.8(6) 2_566 2_566
O80 K8 O440 89.2(6) . 2_566
O91 K8 O440 63.8(6) . 2_566
O95 K8 O440 99.3(6) . 2_566
O410 K8 O84 104.7(4) . .
O95 K8 O84 111.3(4) 2_566 .
O80 K8 O84 56.2(3) . .
O91 K8 O84 65.0(3) . .
O95 K8 O84 53.1(3) . .
O440 K8 O84 128.4(6) 2_566 .
O410 K8 O427 62.1(6) . .
O95 K8 O427 126.4(6) 2_566 .
O80 K8 O427 64.9(5) . .
O91 K8 O427 96.1(6) . .
O95 K8 O427 150.4(6) . .
O440 K8 O427 62.0(7) 2_566 .
O84 K8 O427 118.6(6) . .
O410 K8 K3 60.3(4) . 2_566
O95 K8 K3 86.3(3) 2_566 2_566
O80 K8 K3 84.3(3) . 2_566
O91 K8 K3 115.4(4) . 2_566
O95 K8 K3 85.7(3) . 2_566
O440 K8 K3 172.1(6) 2_566 2_566
O84 K8 K3 50.5(3) . 2_566
O427 K8 K3 110.9(6) . 2_566
O410 K8 O94 115.0(4) . 2_566
O95 K8 O94 52.8(3) 2_566 2_566
O80 K8 O94 135.4(4) . 2_566
O91 K8 O94 88.3(4) . 2_566
O95 K8 O94 82.2(3) . 2_566
O440 K8 O94 48.5(6) 2_566 2_566
O84 K8 O94 135.2(4) . 2_566
O427 K8 O94 98.4(6) . 2_566
K3 K8 O94 138.9(3) 2_566 2_566
O410 K8 W27 117.7(4) . .
O95 K8 W27 153.7(4) 2_566 .
O80 K8 W27 27.7(2) . .
O91 K8 W27 31.5(2) . .
O95 K8 W27 81.8(3) . .
O440 K8 W27 66.9(5) 2_566 .
O84 K8 W27 66.5(2) . .
O427 K8 W27 69.9(5) . .
K3 K8 W27 108.1(3) 2_566 .
O94 K8 W27 108.8(3) 2_566 .
O410 K8 W21 170.8(4) . .
O95 K8 W21 94.9(3) 2_566 .
O80 K8 W21 81.0(3) . .
O91 K8 W21 28.3(2) . .
O95 K8 W21 30.1(2) . .
O440 K8 W21 72.1(5) 2_566 .
O84 K8 W21 66.1(2) . .
O427 K8 W21 121.6(6) . .
K3 K8 W21 111.2(3) 2_566 .
O94 K8 W21 73.6(2) 2_566 .
W27 K8 W21 59.69(13) . .
O464 K9 O69 82.1(13) 2 .
O464 K9 O463 89.0(17) 2 .
O69 K9 O463 69.1(14) . .
O464 K9 O100 100.5(13) 2 2_566
O69 K9 O100 65.0(4) . 2_566
O463 K9 O100 131.1(14) . 2_566
O464 K9 O423 77.0(13) 2 2_566
O69 K9 O423 128.0(5) . 2_566
O463 K9 O423 154.8(14) . 2_566
O100 K9 O423 72.8(5) 2_566 2_566
O464 K9 O105 129.8(13) 2 2_566
O69 K9 O105 146.7(5) . 2_566
O463 K9 O105 98.4(13) . 2_566
O100 K9 O105 110.5(4) 2_566 2_566
O423 K9 O105 75.9(4) 2_566 2_566
O464 K9 O473 119.9(16) 2 .
O69 K9 O473 75.9(10) . .
O463 K9 O473 31.0(14) . .
O100 K9 O473 118.1(10) 2_566 .
O423 K9 O473 154.5(11) 2_566 .
O105 K9 O473 78.6(10) 2_566 .
O464 K9 O104 143.1(13) 2 2_566
O69 K9 O104 107.0(4) . 2_566
O463 K9 O104 127.9(13) . 2_566
O100 K9 O104 55.8(3) 2_566 2_566
O423 K9 O104 69.3(4) 2_566 2_566
O105 K9 O104 55.4(3) 2_566 2_566
O473 K9 O104 96.9(10) . 2_566
O464 K9 W9 121.1(13) 2 2_566
O69 K9 W9 85.1(3) . 2_566
O463 K9 W9 137.6(13) . 2_566
O100 K9 W9 25.8(2) 2_566 2_566
O423 K9 W9 67.0(4) 2_566 2_566
O105 K9 W9 84.8(3) 2_566 2_566
O473 K9 W9 111.8(10) . 2_566
O104 K9 W9 30.0(2) 2_566 2_566
O464 K9 W28 142.0(13) 2 2_566
O69 K9 W28 132.4(4) . 2_566
O463 K9 W28 115.6(13) . 2_566
O100 K9 W28 85.1(3) 2_566 2_566
O423 K9 W28 68.9(4) 2_566 2_566
O105 K9 W28 25.5(2) 2_566 2_566
O473 K9 W28 88.3(9) . 2_566
O104 K9 W28 30.1(2) 2_566 2_566
W9 K9 W28 59.37(12) 2_566 2_566
O18 K10 O77 83.5(4) 2_565 .
O18 K10 O424 73.9(5) 2_565 .
O77 K10 O424 106.2(6) . .
O18 K10 O431 143.6(6) 2_565 1_655
O77 K10 O431 69.2(6) . 1_655
O424 K10 O431 135.7(8) . 1_655
O18 K10 O468 92.7(13) 2_565 1_655
O77 K10 O468 60.7(12) . 1_655
O424 K10 O468 51.8(12) . 1_655
O431 K10 O468 94.3(12) 1_655 1_655
O18 K10 O105 138.8(4) 2_565 1_655
O77 K10 O105 125.2(5) . 1_655
O424 K10 O105 70.0(6) . 1_655
O431 K10 O105 77.6(6) 1_655 1_655
O468 K10 O105 80.4(13) 1_655 1_655
O18 K10 O428 65.3(6) 2_565 .
O77 K10 O428 72.4(5) . .
O424 K10 O428 139.1(7) . .
O431 K10 O428 83.3(7) 1_655 .
O468 K10 O428 130.3(13) 1_655 .
O105 K10 O428 145.2(6) 1_655 .
O18 K10 W28 149.4(4) 2_565 1_655
O77 K10 W28 105.9(3) . 1_655
O424 K10 W28 75.5(5) . 1_655
O431 K10 W28 64.7(5) 1_655 1_655
O468 K10 W28 68.6(13) 1_655 1_655
O105 K10 W28 19.4(2) 1_655 1_655
O428 K10 W28 145.2(5) . 1_655
K11' K11 K11' 179.995(18) 2_455 .
K11' K11 O458 160.6(16) 2_455 .
K11' K11 O458 19.4(16) . .
K11' K11 O458 19.4(16) 2_455 2_455
K11' K11 O458 160.6(16) . 2_455
O458 K11 O458 180.0(10) . 2_455
K11' K11 O20 93.5(14) 2_455 .
K11' K11 O20 86.5(14) . .
O458 K11 O20 101.5(6) . .
O458 K11 O20 78.5(6) 2_455 .
K11' K11 O20 86.5(14) 2_455 2_455
K11' K11 O20 93.5(14) . 2_455
O458 K11 O20 78.5(6) . 2_455
O458 K11 O20 101.5(6) 2_455 2_455
O20 K11 O20 180.0 . 2_455
K11' K11 O11 82.3(14) 2_455 2_455
K11' K11 O11 97.7(14) . 2_455
O458 K11 O11 100.0(6) . 2_455
O458 K11 O11 80.0(6) 2_455 2_455
O20 K11 O11 121.0(3) . 2_455
O20 K11 O11 59.0(3) 2_455 2_455
K11' K11 O11 97.7(14) 2_455 .
K11' K11 O11 82.3(14) . .
O458 K11 O11 80.0(6) . .
O458 K11 O11 100.0(6) 2_455 .
O20 K11 O11 59.0(3) . .
O20 K11 O11 121.0(3) 2_455 .
O11 K11 O11 180.0 2_455 .
K11' K11 O12 89.6(14) 2_455 .
K11' K11 O12 90.4(14) . .
O458 K11 O12 73.2(6) . .
O458 K11 O12 106.8(6) 2_455 .
O20 K11 O12 114.2(3) . .
O20 K11 O12 65.8(3) 2_455 .
O11 K11 O12 124.5(3) 2_455 .
O11 K11 O12 55.5(3) . .
K11' K11 O12 90.4(14) 2_455 2_455
K11' K11 O12 89.6(14) . 2_455
O458 K11 O12 106.8(6) . 2_455
O458 K11 O12 73.2(6) 2_455 2_455
O20 K11 O12 65.8(3) . 2_455
O20 K11 O12 114.2(3) 2_455 2_455
O11 K11 O12 55.5(3) 2_455 2_455
O11 K11 O12 124.5(3) . 2_455
O12 K11 O12 180.0 . 2_455
K11' K11 K12 37.1(16) 2_455 .
K11' K11 K12 142.9(16) . .
O458 K11 K12 123.5(9) . .
O458 K11 K12 56.5(9) 2_455 .
O20 K11 K12 121.3(7) . .
O20 K11 K12 58.7(7) 2_455 .
O11 K11 K12 88.5(6) 2_455 .
O11 K11 K12 91.5(6) . .
O12 K11 K12 57.1(7) . .
O12 K11 K12 122.9(7) 2_455 .
K11' K11 K12 142.9(16) 2_455 2_455
K11' K11 K12 37.1(16) . 2_455
O458 K11 K12 56.5(9) . 2_455
O458 K11 K12 123.5(9) 2_455 2_455
O20 K11 K12 58.7(7) . 2_455
O20 K11 K12 121.3(7) 2_455 2_455
O11 K11 K12 91.5(6) 2_455 2_455
O11 K11 K12 88.5(6) . 2_455
O12 K11 K12 122.9(7) . 2_455
O12 K11 K12 57.1(7) 2_455 2_455
K12 K11 K12 180.0 . 2_455
K11 K11' K11' 0.003(9) . 2_455
K11 K11' O458 155(2) . .
K11' K11' O458 155(2) 2_455 .
K11 K11' O20 79.7(14) . .
K11' K11' O20 79.7(14) 2_455 .
O458 K11' O20 119.4(10) . .
K11 K11' O20 73.0(13) . 2_455
K11' K11' O20 73.0(13) 2_455 2_455
O458 K11' O20 86.8(10) . 2_455
O20 K11' O20 152.7(7) . 2_455
K11 K11' O11 84.5(14) . .
K11' K11' O11 84.5(14) 2_455 .
O458 K11' O11 91.5(10) . .
O20 K11' O11 58.7(4) . .
O20 K11' O11 117.4(6) 2_455 .
K11 K11' K12 135.1(19) . 2_455
K11' K11' K12 135.1(19) 2_455 2_455
O458 K11' K12 70.3(12) . 2_455
O20 K11' K12 65.5(9) . 2_455
O20 K11' K12 137.2(10) 2_455 2_455
O11 K11' K12 99.4(9) . 2_455
K11 K11' O12 77.7(14) . 2_455
K11' K11' O12 77.7(14) 2_455 2_455
O458 K11' O12 124.5(11) . 2_455
O20 K11' O12 64.4(5) . 2_455
O20 K11' O12 108.8(6) 2_455 2_455
O11 K11' O12 122.4(6) . 2_455
K12 K11' O12 62.4(8) 2_455 2_455
K11 K11' O12 76.9(14) . .
K11' K11' O12 76.9(14) 2_455 .
O458 K11' O12 80.2(10) . .
O20 K11' O12 110.7(6) . .
O20 K11' O12 63.3(4) 2_455 .
O11 K11' O12 54.8(4) . .
K12 K11' O12 140.5(10) 2_455 .
O12 K11' O12 154.7(7) 2_455 .
K11 K11' O11 69.8(13) . 2_455
K11' K11' O11 69.8(13) 2_455 2_455
O458 K11' O11 111.6(10) . 2_455
O20 K11' O11 114.3(6) . 2_455
O20 K11' O11 55.9(4) 2_455 2_455
O11 K11' O11 154.3(7) . 2_455
K12 K11' O11 98.9(9) 2_455 2_455
O12 K11' O11 53.3(4) 2_455 2_455
O12 K11' O11 116.4(6) . 2_455
K11 K11' O453 122.8(17) . 1_455
K11' K11' O453 122.8(17) 2_455 1_455
O458 K11' O453 33.7(9) . 1_455
O20 K11' O453 150.4(8) . 1_455
O20 K11' O453 53.6(6) 2_455 1_455
O11 K11' O453 101.4(8) . 1_455
K12 K11' O453 100.5(11) 2_455 1_455
O12 K11' O453 134.2(8) 2_455 1_455
O12 K11' O453 62.7(7) . 1_455
O11 K11' O453 92.9(7) 2_455 1_455
K11 K11' O458 15.6(13) . 2_455
K11' K11' O458 15.6(13) 2_455 2_455
O458 K11' O458 170.1(8) . 2_455
O20 K11' O458 67.8(6) . 2_455
O20 K11' O458 85.3(7) 2_455 2_455
O11 K11' O458 86.8(7) . 2_455
K12 K11' O458 119.6(11) 2_455 2_455
O12 K11' O458 64.0(6) 2_455 2_455
O12 K11' O458 90.9(7) . 2_455
O11 K11' O458 68.4(6) 2_455 2_455
O453 K11' O458 137.4(9) 1_455 2_455
O437 K12 O432 115.0(14) . 2_455
O437 K12 K11' 114.0(15) . 2_455
O432 K12 K11' 116.6(14) 2_455 2_455
O437 K12 O458 74.9(12) . 2_455
O432 K12 O458 150.2(16) 2_455 2_455
K11' K12 O458 40.7(8) 2_455 2_455
O437 K12 O12 166.9(16) . .
O432 K12 O12 77.6(11) 2_455 .
K11' K12 O12 59.7(8) 2_455 .
O458 K12 O12 96.1(11) 2_455 .
O437 K12 O20 127.7(14) . 2_455
O432 K12 O20 64.5(10) 2_455 2_455
K11' K12 O20 54.3(8) 2_455 2_455
O458 K12 O20 87.0(11) 2_455 2_455
O12 K12 O20 59.8(7) . 2_455
O437 K12 O455 41.5(8) . 2_455
O432 K12 O455 105.5(12) 2_455 2_455
K11' K12 O455 86.7(11) 2_455 2_455
O458 K12 O455 62.0(10) 2_455 2_455
O12 K12 O455 141.8(14) . 2_455
O20 K12 O455 86.6(10) 2_455 2_455
O437 K12 O35 69.9(11) . .
O432 K12 O35 154.0(15) 2_455 .
K11' K12 O35 80.6(10) 2_455 .
O458 K12 O35 55.1(9) 2_455 .
O12 K12 O35 97.3(10) . .
O20 K12 O35 134.8(12) 2_455 .
O455 K12 O35 94.3(11) 2_455 .
O437 K12 O15 117.6(14) . .
O432 K12 O15 114.7(13) 2_455 .
K11' K12 O15 72.2(8) 2_455 .
O458 K12 O15 80.3(10) 2_455 .
O12 K12 O15 50.5(6) . .
O20 K12 O15 106.5(10) 2_455 .
O455 K12 O15 139.6(14) 2_455 .
O35 K12 O15 49.2(6) . .
O437 K12 K11 121.4(14) . .
O432 K12 K11 109.6(12) 2_455 .
K11' K12 K11 7.8(4) 2_455 .
O458 K12 K11 48.5(7) 2_455 .
O12 K12 K11 53.1(6) . .
O20 K12 K11 48.7(6) 2_455 .
O455 K12 K11 91.8(10) 2_455 .
O35 K12 K11 86.1(9) . .
O15 K12 K11 71.6(7) . .
O437 K12 K11' 126.8(14) . .
O432 K12 K11' 104.3(12) 2_455 .
K11' K12 K11' 13.5(6) 2_455 .
O458 K12 K11' 54.2(8) 2_455 .
O12 K12 K11' 48.4(6) . .
O20 K12 K11' 45.0(6) 2_455 .
O455 K12 K11' 95.5(10) 2_455 .
O35 K12 K11' 90.1(9) . .
O15 K12 K11' 71.4(7) . .
K11 K12 K11' 5.7(3) . .
O437 K12 W16 144.6(14) . .
O432 K12 W16 95.4(11) 2_455 .
K11' K12 W16 62.0(7) 2_455 .
O458 K12 W16 87.9(10) 2_455 .
O12 K12 W16 23.0(3) . .
O20 K12 W16 80.6(8) 2_455 .
O455 K12 W16 147.9(12) 2_455 .
O35 K12 W16 74.9(7) . .
O15 K12 W16 27.5(3) . .
K11 K12 W16 57.9(5) . .
K11' K12 W16 55.2(5) . .
W30 O1 K7 134.7(5) . 1_455
W30 O2 W16 120.5(5) . .
W10 O3 W30 146.2(5) . .
W30 O4 Fe2 154.2(6) . .
W29 O5 W30 119.1(5) . .
Si1 O6 Fe3 123.9(6) . .
Si1 O6 Fe2 123.7(5) . .
Fe3 O6 Fe2 91.0(3) . .
Si1 O6 W26 127.5(5) . .
Fe3 O6 W26 89.9(4) . .
Fe2 O6 W26 90.0(4) . .
Si1 O7 W30 123.3(5) . .
Si1 O7 W16 122.5(5) . .
W30 O7 W16 92.5(4) . .
Si1 O7 W29 125.3(5) . .
W30 O7 W29 92.0(4) . .
W16 O7 W29 92.0(3) . .
Si1 O8 W4 121.0(5) . .
Si1 O8 W12 125.5(5) . .
W4 O8 W12 93.6(3) . .
Si1 O8 W10 124.5(5) . .
W4 O8 W10 93.3(3) . .
W12 O8 W10 89.7(3) . .
Si1 O9 W20 123.0(5) . .
Si1 O9 W23 122.5(6) . .
W20 O9 W23 92.4(3) . .
Si1 O9 W22 126.0(5) . .
W20 O9 W22 91.6(4) . .
W23 O9 W22 92.0(3) . .
W4 O10 Fe2 136.6(5) . .
W4 O10 K2 106.8(4) . 2_565
Fe2 O10 K2 101.2(4) . 2_565
W16 O11 W26 154.6(6) . .
W16 O11 K11' 102.9(5) . .
W26 O11 K11' 96.3(5) . .
W16 O11 K11 99.7(4) . .
W26 O11 K11 95.2(4) . .
K11' O11 K11 13.2(4) . .
W16 O11 K11' 96.2(5) . 2_455
W26 O11 K11' 93.9(5) . 2_455
K11' O11 K11' 25.7(7) . 2_455
K11 O11 K11' 12.5(3) . 2_455
W16 O12 K11 100.5(5) . .
W16 O12 K11' 100.1(6) . 2_455
K11 O12 K11' 12.7(3) . 2_455
W16 O12 K11' 100.4(5) . .
K11 O12 K11' 12.6(3) . .
K11' O12 K11' 25.3(7) 2_455 .
W16 O12 K12 110.9(9) . .
K11 O12 K12 69.8(7) . .
K11' O12 K12 57.9(8) 2_455 .
K11' O12 K12 81.8(8) . .
W29 O13 W16 120.3(5) . .
W16 O15 W23 146.8(6) . .
W16 O15 K12 97.4(8) . .
W23 O15 K12 101.8(8) . .
W29 O16 W10 145.6(6) . .
W10 O17 W4 121.4(5) . .
W10 O18 K10 156.0(6) . 2_565
W4 O19 K1 142.8(5) . .
W4 O19 K5 97.0(4) . 2_565
K1 O19 K5 105.7(3) . 2_565
W4 O19 K2 95.6(4) . 2_565
K1 O19 K2 105.2(3) . 2_565
K5 O19 K2 107.1(3) 2_565 2_565
W26 O20 K11 108.6(5) . .
W26 O20 K11' 107.9(6) . .
K11 O20 K11' 13.8(4) . .
W26 O20 K11' 108.3(6) . 2_455
K11 O20 K11' 13.4(4) . 2_455
K11' O20 K11' 27.3(7) . 2_455
W26 O20 K12 118.7(8) . 2_455
K11 O20 K12 72.6(7) . 2_455
K11' O20 K12 60.3(8) . 2_455
K11' O20 K12 84.7(8) 2_455 2_455
W26 O21 Fe2 115.5(5) . .
W26 O22 Fe3 112.7(5) . .
W10 O23 W12 120.8(5) . .
W29 O24 W22 158.9(6) . .
W22 O26 W12 145.6(6) . .
W22 O27 W23 120.4(5) . .
W12 O29 W4 121.7(5) . .
W4 O30 Fe3 135.7(6) . .
W4 O30 K5 105.9(4) . 2_565
Fe3 O30 K5 102.7(4) . 2_565
W23 O31 W26 154.7(6) . .
W20 O32 Fe3 154.9(6) . .
W12 O33 W20 146.5(6) . .
W22 O34 W20 119.1(5) . .
W23 O35 K4 145.6(6) . .
W23 O35 K12 107.9(8) . .
K4 O35 K12 95.9(7) . .
W23 O36 W20 121.1(5) . .
Fe7 O38 Fe3 133.4(7) . .
Fe7 O38 Fe2 117.7(7) . .
Fe3 O38 Fe2 108.7(4) . .
Fe1 O39 Fe3 142.0(6) . .
Fe1 O39 K5 97.3(3) . 2_565
Fe3 O39 K5 96.3(4) . 2_565
Fe1 O40 Fe4 108.9(5) . .
Fe1 O40 Fe7 126.3(7) . .
Fe4 O40 Fe7 124.8(7) . .
W13 O41 Fe1 155.9(6) . .
W13 O41 K6 100.9(4) . 2
Fe1 O41 K6 97.6(4) . 2
W19 O42 Fe1 112.9(5) . .
W19 O42 K6 106.1(5) . 2
Fe1 O42 K6 105.6(4) . 2
W1 O43 Fe1 136.6(6) . .
W1 O43 K5 106.0(4) . 2_565
Fe1 O43 K5 103.1(4) . 2_565
W7 O45 W13 147.6(6) . .
W5 O46 W13 119.6(5) . .
W5 O46 K6 120.5(5) . .
W13 O46 K6 107.5(5) . .
W5 O46 K6 100.1(4) . 2
W13 O46 K6 102.3(4) . 2
K6 O46 K6 103.4(4) . 2
W3 O47 W13 118.2(5) . .
W7 O48 K7 163.3(6) . .
W7 O49 W1 120.9(5) . .
W1 O50 K2 142.6(6) . .
W1 O50 K5 97.4(4) . 2_565
K2 O50 K5 104.7(3) . 2_565
W1 O50 K1 95.6(4) . 2_565
K2 O50 K1 105.2(3) . 2_565
K5 O50 K1 108.7(3) 2_565 2_565
W3 O51 K4 106.8(4) . 2
W7 O52 W3 145.9(6) . .
W3 O53 W5 120.8(5) . .
Si3 O54 W13 124.5(5) . .
Si3 O54 W3 126.1(5) . .
W13 O54 W3 91.9(3) . .
Si3 O54 W5 121.5(5) . .
W13 O54 W5 92.1(3) . .
W3 O54 W5 91.2(3) . .
W5 O56 W19 155.7(6) . .
W5 O56 K6 103.5(4) . 2
W19 O56 K6 99.1(4) . 2
Si3 O58 Fe1 123.6(5) . .
Si3 O58 W19 128.0(5) . .
Fe1 O58 W19 89.9(3) . .
Si3 O58 Fe4 123.7(5) . .
Fe1 O58 Fe4 90.8(4) . .
W19 O58 Fe4 90.0(3) . .
W1 O59 Fe4 137.8(5) . .
W1 O59 K1 107.4(4) . 2_565
Fe4 O59 K1 101.9(4) . 2_565
W19 O60 Fe4 115.6(5) . .
Si3 O61 W1 120.8(5) . .
Si3 O61 W7 125.3(5) . .
W1 O61 W7 94.1(4) . .
Si3 O61 W15 124.7(5) . .
W1 O61 W15 93.4(3) . .
W7 O61 W15 89.7(3) . .
Si3 O62 W6 123.1(5) . .
Si3 O62 W11 126.8(5) . .
W6 O62 W11 92.0(3) . .
Si3 O62 W8 122.4(5) . .
W6 O62 W8 91.7(3) . .
W11 O62 W8 91.0(3) . .
W6 O63 W5 146.1(6) . .
W11 O64 W3 157.6(6) . .
W11 O64 K4 97.0(4) . 2
W3 O64 K4 98.0(4) . 2
W11 O65 K4 107.4(5) . 2
W11 O66 W15 145.2(6) . .
W11 O67 W6 120.8(5) . .
W11 O68 W8 117.7(5) . .
W6 O69 K9 144.8(6) . .
W15 O70 W7 120.5(5) . .
W8 O71 W6 120.7(5) . .
W8 O72 K3' 106.2(6) . 2_566
W8 O72 K3 99.1(5) . 2_566
K3' O72 K3 21.6(5) 2_566 2_566
W8 O73 Fe4 156.1(6) . .
W8 O73 K3 101.1(4) . 2_566
Fe4 O73 K3 99.1(4) . 2_566
W8 O73 K3' 94.5(6) . 2_566
Fe4 O73 K3' 100.1(6) . 2_566
K3 O73 K3' 20.5(4) 2_566 2_566
W15 O74 W8 147.5(6) . .
W6 O75 W19 154.7(6) . .
W15 O76 W1 120.5(4) . .
W15 O77 K10 157.6(6) . .
Fe6 O78 Fe4 143.7(6) . .
Fe6 O78 K3 102.4(4) . 2_566
Fe4 O78 K3 103.3(4) . 2_566
Fe6 O78 K3' 106.5(6) . 2_566
Fe4 O78 K3' 106.8(6) . 2_566
K3 O78 K3' 21.4(4) 2_566 2_566
Fe6 O78 K1 97.2(4) . 2_565
Fe4 O78 K1 97.0(4) . 2_565
K3 O78 K1 111.3(4) 2_566 2_565
K3' O78 K1 89.8(5) 2_566 2_565
Fe7 O79 Fe6 132.4(8) . .
Fe7 O79 Fe5 117.2(8) . .
Fe6 O79 Fe5 110.2(5) . .
W27 O80 Fe6 114.3(5) . .
W27 O80 K8 105.4(5) . .
Fe6 O80 K8 107.3(4) . .
W2 O81 Fe6 137.1(5) . .
W2 O81 K1 107.4(4) . 2_565
Fe6 O81 K1 100.9(4) . 2_565
Si2 O82 Fe5 122.9(5) . .
Si2 O82 Fe6 124.6(5) . .
Fe5 O82 Fe6 91.4(4) . .
Si2 O82 W27 127.1(5) . .
Fe5 O82 W27 90.3(3) . .
Fe6 O82 W27 90.1(3) . .
W14 O84 Fe6 155.2(6) . .
W14 O84 K3 103.1(5) . 2_566
Fe6 O84 K3 98.2(4) . 2_566
W14 O84 K3' 96.9(6) . 2_566
Fe6 O84 K3' 98.8(6) . 2_566
K3 O84 K3' 20.4(4) 2_566 2_566
W14 O84 K8 100.8(5) . .
Fe6 O84 K8 98.5(4) . .
K3 O84 K8 68.8(3) 2_566 .
K3' O84 K8 89.0(5) 2_566 .
W2 O85 K5 142.9(5) . .
W2 O85 K2 96.6(4) . 2_565
K5 O85 K2 105.9(4) . 2_565
W2 O85 K1 95.6(4) . 2_565
K5 O85 K1 104.5(4) . 2_565
K2 O85 K1 108.3(3) 2_565 2_565
Fe5 O86 Fe2 142.9(6) . .
Fe5 O86 K2 98.4(4) . 2_565
Fe2 O86 K2 97.1(4) . 2_565
Si2 O87 W2 121.0(5) . .
Si2 O87 W24 125.3(5) . .
W2 O87 W24 93.7(3) . .
Si2 O87 W18 124.3(5) . .
W2 O87 W18 93.5(3) . .
W24 O87 W18 89.9(3) . .
Si2 O88 W17 123.0(5) . .
Si2 O88 W25 123.9(5) . .
W17 O88 W25 91.9(3) . .
Si2 O88 W28 125.5(5) . .
W17 O88 W28 92.0(3) . .
W25 O88 W28 90.8(3) . .
Si2 O89 W14 123.5(5) . .
Si2 O89 W21 123.4(5) . .
W14 O89 W21 92.1(3) . .
Si2 O89 W9 125.8(5) . .
W14 O89 W9 90.9(3) . .
W21 O89 W9 91.3(3) . .
W2 O90 Fe5 136.8(6) . .
W2 O90 K2 105.6(4) . 2_565
Fe5 O90 K2 103.2(4) . 2_565
W21 O91 W27 155.1(6) . .
W21 O91 K8 103.8(5) . .
W27 O91 K8 99.5(4) . .
W24 O92 W14 147.9(6) . .
W17 O93 W27 155.0(6) . .
W14 O94 K3' 103.7(6) . 2_566
W14 O94 K3 97.0(4) . 2_566
K3' O94 K3 20.9(4) 2_566 2_566
W14 O94 K8 91.1(5) . 2_566
K3' O94 K8 132.8(6) 2_566 2_566
K3 O94 K8 114.3(4) 2_566 2_566
W21 O95 W14 120.9(5) . .
W21 O95 K8 120.6(5) . 2_566
W14 O95 K8 107.0(5) . 2_566
W21 O95 K8 98.9(4) . .
W14 O95 K8 103.1(4) . .
K8 O95 K8 102.6(4) 2_566 .
W21 O96 K3 138.7(6) . .
W21 O96 K3' 158.7(7) . .
K3 O96 K3' 20.2(4) . .
W9 O97 W21 120.3(6) . .
W17 O98 W21 145.6(6) . .
W9 O99 W14 119.2(5) . .
W9 O100 K9 106.4(5) . 2_566
W18 O102 W24 120.6(5) . .
W9 O103 W24 146.1(6) . .
W9 O104 W28 157.9(6) . .
W9 O104 K9 97.0(4) . 2_566
W28 O104 K9 97.2(4) . 2_566
W28 O105 K10 126.3(6) . 1_455
W28 O105 K9 106.5(5) . 2_566
K10 O105 K9 121.2(5) 1_455 2_566
W28 O106 W18 144.4(5) . .
W28 O107 W17 121.1(5) . .
W28 O108 W25 118.9(6) . .
W18 O109 K7 153.6(6) . 2_565
W18 O110 W2 120.8(5) . .
W17 O111 K4 126.0(5) . 2_455
W17 O112 W25 120.5(5) . .
W18 O114 W25 146.8(6) . .
W25 O115 Fe5 154.0(6) . .
W27 O116 Fe5 114.8(5) . .
W24 O117 W2 120.3(5) . .
O414 O405 K6 152.8(12) 2 .
K1 O407 K3' 84.0(5) . 1_554
K8 O410 K3 69.0(4) . 2_566
O405 O414 O459 173(2) 2 .
O468 O422 K7 143(3) . 2_565
K12 O437 K4 111.9(12) . .
K3' O451 K3 2.7(9) . .
O413 O453 K11' 134(4) . 1_655
O420 O455 K12 95.8(16) . 2_455
K11' O458 K11 6.1(5) . .
K11' O458 K12 68.9(12) . 2_455
K11 O458 K12 75.0(10) . 2_455
K11' O458 K11' 9.9(8) . 2_455
K11 O458 K11' 3.8(3) . 2_455
K12 O458 K11' 78.8(10) 2_455 2_455
O473 O463 K9 80(3) . .
O422 O468 K10 149(4) . 1_455
O463 O473 K9 69(3) . .
O6 Si1 O8 110.8(5) . .
O6 Si1 O9 110.3(5) . .
O8 Si1 O9 107.9(5) . .
O6 Si1 O7 110.4(6) . .
O8 Si1 O7 108.7(5) . .
O9 Si1 O7 108.7(5) . .
O89 Si2 O82 110.0(5) . .
O89 Si2 O88 108.9(5) . .
O82 Si2 O88 110.5(5) . .
O89 Si2 O87 108.2(5) . .
O82 Si2 O87 110.4(5) . .
O88 Si2 O87 108.7(5) . .
O58 Si3 O62 110.8(5) . .
O58 Si3 O54 110.5(5) . .
O62 Si3 O54 108.6(5) . .
O58 Si3 O61 111.1(5) . .
O62 Si3 O61 108.7(5) . .
O54 Si3 O61 107.0(5) . .
O50 W1 O59 102.5(4) . .
O50 W1 O43 102.1(5) . .
O59 W1 O43 97.4(4) . .
O50 W1 O49 95.5(4) . .
O59 W1 O49 159.7(4) . .
O43 W1 O49 87.7(4) . .
O50 W1 O76 96.1(4) . .
O59 W1 O76 88.5(4) . .
O43 W1 O76 159.0(4) . .
O49 W1 O76 80.3(4) . .
O50 W1 O61 163.4(4) . .
O59 W1 O61 89.1(4) . .
O43 W1 O61 87.9(4) . .
O49 W1 O61 71.4(4) . .
O76 W1 O61 72.0(3) . .
O50 W1 K5 55.9(3) . 2_565
O59 W1 K5 108.7(3) . 2_565
O43 W1 K5 46.4(3) . 2_565
O49 W1 K5 89.0(3) . 2_565
O76 W1 K5 149.1(3) . 2_565
O61 W1 K5 131.6(2) . 2_565
O50 W1 K1 57.5(3) . 2_565
O59 W1 K1 45.2(3) . 2_565
O43 W1 K1 109.8(3) . 2_565
O49 W1 K1 149.8(3) . 2_565
O76 W1 K1 88.6(3) . 2_565
O61 W1 K1 131.5(2) . 2_565
K5 W1 K1 86.21(8) 2_565 2_565
O50 W1 K2 22.9(4) . .
O59 W1 K2 116.2(3) . .
O43 W1 K2 116.0(3) . .
O49 W1 K2 78.3(3) . .
O76 W1 K2 78.5(3) . .
O61 W1 K2 140.5(2) . .
K5 W1 K2 70.94(7) 2_565 .
K1 W1 K2 71.94(7) 2_565 .
O85 W2 O81 102.3(5) . .
O85 W2 O90 102.2(5) . .
O81 W2 O90 97.8(4) . .
O85 W2 O110 95.8(4) . .
O81 W2 O110 159.0(4) . .
O90 W2 O110 88.5(4) . .
O85 W2 O117 96.2(4) . .
O81 W2 O117 88.2(4) . .
O90 W2 O117 158.9(4) . .
O110 W2 O117 79.3(4) . .
O85 W2 O87 163.8(4) . .
O81 W2 O87 88.5(4) . .
O90 W2 O87 88.1(4) . .
O110 W2 O87 71.7(4) . .
O117 W2 O87 71.8(4) . .
O85 W2 K2 55.9(3) . 2_565
O81 W2 K2 109.4(3) . 2_565
O90 W2 K2 46.5(3) . 2_565
O110 W2 K2 89.4(3) . 2_565
O117 W2 K2 148.9(3) . 2_565
O87 W2 K2 131.9(2) . 2_565
O85 W2 K1 57.1(4) . 2_565
O81 W2 K1 45.3(3) . 2_565
O90 W2 K1 108.9(3) . 2_565
O110 W2 K1 149.7(3) . 2_565
O117 W2 K1 89.7(3) . 2_565
O87 W2 K1 131.4(3) . 2_565
K2 W2 K1 85.61(8) 2_565 2_565
O51 W3 O47 100.6(5) . .
O51 W3 O52 103.3(5) . .
O47 W3 O52 86.3(4) . .
O51 W3 O53 101.5(5) . .
O47 W3 O53 86.8(4) . .
O52 W3 O53 155.1(4) . .
O51 W3 O64 100.0(5) . .
O47 W3 O64 159.4(4) . .
O52 W3 O64 88.1(4) . .
O53 W3 O64 90.0(4) . .
O51 W3 O54 174.2(4) . .
O47 W3 O54 75.2(4) . .
O52 W3 O54 80.7(4) . .
O53 W3 O54 74.4(4) . .
O64 W3 O54 84.3(4) . .
O51 W3 K4 48.0(4) . 2
O47 W3 K4 148.1(3) . 2
O52 W3 K4 95.2(3) . 2
O53 W3 K4 103.2(3) . 2
O64 W3 K4 52.3(3) . 2
O54 W3 K4 136.5(2) . 2
O19 W4 O10 103.0(4) . .
O19 W4 O30 102.1(4) . .
O10 W4 O30 98.6(4) . .
O19 W4 O17 96.3(4) . .
O10 W4 O17 87.7(4) . .
O30 W4 O17 158.6(4) . .
O19 W4 O29 96.4(4) . .
O10 W4 O29 158.1(4) . .
O30 W4 O29 87.0(4) . .
O17 W4 O29 80.1(4) . .
O19 W4 O8 163.7(4) . .
O10 W4 O8 87.8(4) . .
O30 W4 O8 88.1(4) . .
O17 W4 O8 71.7(3) . .
O29 W4 O8 71.1(4) . .
O19 W4 K5 55.7(3) . 2_565
O10 W4 K5 109.1(3) . 2_565
O30 W4 K5 46.4(3) . 2_565
O17 W4 K5 149.4(3) . 2_565
O29 W4 K5 90.1(3) . 2_565
O8 W4 K5 132.3(2) . 2_565
O19 W4 K2 57.3(3) . 2_565
O10 W4 K2 45.9(3) . 2_565
O30 W4 K2 109.4(3) . 2_565
O17 W4 K2 89.7(3) . 2_565
O29 W4 K2 150.8(3) . 2_565
O8 W4 K2 131.4(2) . 2_565
K5 W4 K2 84.85(8) 2_565 2_565
O55 W5 O56 103.3(5) . .
O55 W5 O63 101.4(5) . .
O56 W5 O63 87.8(4) . .
O55 W5 O46 98.3(5) . .
O56 W5 O46 90.6(4) . .
O63 W5 O46 160.1(4) . .
O55 W5 O53 99.3(4) . .
O56 W5 O53 157.4(4) . .
O63 W5 O53 86.4(4) . .
O46 W5 O53 87.5(4) . .
O55 W5 O54 169.0(4) . .
O56 W5 O54 84.4(4) . .
O63 W5 O54 86.6(4) . .
O46 W5 O54 73.5(4) . .
O53 W5 O54 73.5(4) . .
O55 W5 K6 84.1(4) . 2
O56 W5 K6 48.4(3) . 2
O63 W5 K6 135.4(3) . 2
O46 W5 K6 49.8(3) . 2
O53 W5 K6 137.0(3) . 2
O54 W5 K6 95.6(3) . 2
O69 W6 O75 102.7(5) . .
O69 W6 O63 100.0(5) . .
O75 W6 O63 88.1(4) . .
O69 W6 O71 100.4(5) . .
O75 W6 O71 92.0(4) . .
O63 W6 O71 159.0(4) . .
O69 W6 O67 98.9(5) . .
O75 W6 O67 158.0(4) . .
O63 W6 O67 84.6(4) . .
O71 W6 O67 87.6(4) . .
O69 W6 O62 170.0(5) . .
O75 W6 O62 85.8(4) . .
O63 W6 O62 85.3(4) . .
O71 W6 O62 73.8(4) . .
O67 W6 O62 73.0(4) . .
O48 W7 O49 101.1(5) . .
O48 W7 O52 102.1(5) . .
O49 W7 O52 156.7(4) . .
O48 W7 O45 101.7(5) . .
O49 W7 O45 90.9(4) . .
O52 W7 O45 86.3(4) . .
O48 W7 O70 99.1(5) . .
O49 W7 O70 89.1(4) . .
O52 W7 O70 85.3(4) . .
O45 W7 O70 158.7(4) . .
O48 W7 O61 172.0(4) . .
O49 W7 O61 73.6(4) . .
O52 W7 O61 83.1(4) . .
O45 W7 O61 84.6(4) . .
O70 W7 O61 75.0(4) . .
O72 W8 O73 102.1(5) . .
O72 W8 O74 100.8(5) . .
O73 W8 O74 94.5(5) . .
O72 W8 O71 101.0(5) . .
O73 W8 O71 93.6(4) . .
O74 W8 O71 154.7(4) . .
O72 W8 O68 97.7(5) . .
O73 W8 O68 160.1(4) . .
O74 W8 O68 82.2(4) . .
O71 W8 O68 82.2(4) . .
O72 W8 O62 170.5(4) . .
O73 W8 O62 86.2(4) . .
O74 W8 O62 82.9(4) . .
O71 W8 O62 73.7(4) . .
O68 W8 O62 74.0(4) . .
O72 W8 K3 52.8(4) . 2_566
O73 W8 K3 49.8(3) . 2_566
O74 W8 K3 107.9(3) . 2_566
O71 W8 K3 95.6(3) . 2_566
O68 W8 K3 149.7(3) . 2_566
O62 W8 K3 134.5(3) . 2_566
O72 W8 K3' 47.1(5) . 2_566
O73 W8 K3' 56.4(5) . 2_566
O74 W8 K3' 92.6(5) . 2_566
O71 W8 K3' 111.8(5) . 2_566
O68 W8 K3' 142.9(4) . 2_566
O62 W8 K3' 142.0(4) . 2_566
K3 W8 K3' 17.0(4) 2_566 2_566
O100 W9 O99 100.5(5) . .
O100 W9 O103 102.8(5) . .
O99 W9 O103 86.3(5) . .
O100 W9 O104 100.6(5) . .
O99 W9 O104 158.9(4) . .
O103 W9 O104 88.8(5) . .
O100 W9 O97 101.0(5) . .
O99 W9 O97 86.4(5) . .
O103 W9 O97 156.0(4) . .
O104 W9 O97 89.9(4) . .
O100 W9 O89 173.8(4) . .
O99 W9 O89 75.6(4) . .
O103 W9 O89 81.9(4) . .
O104 W9 O89 83.4(4) . .
O97 W9 O89 74.2(4) . .
O100 W9 K9 47.7(4) . 2_566
O99 W9 K9 148.0(3) . 2_566
O103 W9 K9 96.0(3) . 2_566
O104 W9 K9 53.0(3) . 2_566
O97 W9 K9 102.3(4) . 2_566
O89 W9 K9 136.4(3) . 2_566
O18 W10 O17 101.8(5) . .
O18 W10 O3 101.5(5) . .
O17 W10 O3 90.6(4) . .
O18 W10 O23 98.5(5) . .
O17 W10 O23 88.5(4) . .
O3 W10 O23 159.7(4) . .
O18 W10 O16 100.8(5) . .
O17 W10 O16 157.3(4) . .
O3 W10 O16 86.7(4) . .
O23 W10 O16 86.4(5) . .
O18 W10 O8 171.6(5) . .
O17 W10 O8 73.5(4) . .
O3 W10 O8 85.7(4) . .
O23 W10 O8 74.6(4) . .
O16 W10 O8 83.8(4) . .
O65 W11 O68 99.3(5) . .
O65 W11 O64 100.1(5) . .
O68 W11 O64 160.6(4) . .
O65 W11 O67 100.9(5) . .
O68 W11 O67 87.2(4) . .
O64 W11 O67 90.4(4) . .
O65 W11 O66 102.7(5) . .
O68 W11 O66 86.2(4) . .
O64 W11 O66 88.3(4) . .
O67 W11 O66 156.3(4) . .
O65 W11 O62 173.6(4) . .
O68 W11 O62 76.9(4) . .
O64 W11 O62 83.9(4) . .
O67 W11 O62 73.9(4) . .
O66 W11 O62 82.3(4) . .
O65 W11 K4 47.1(4) . 2
O68 W11 K4 145.8(3) . 2
O64 W11 K4 53.3(3) . 2
O67 W11 K4 103.6(3) . 2
O66 W11 K4 94.5(3) . 2
O62 W11 K4 137.2(2) . 2
O28 W12 O29 100.3(5) . .
O28 W12 O33 100.8(5) . .
O29 W12 O33 90.0(4) . .
O28 W12 O23 99.8(5) . .
O29 W12 O23 89.0(4) . .
O33 W12 O23 159.2(4) . .
O28 W12 O26 102.5(5) . .
O29 W12 O26 157.1(4) . .
O33 W12 O26 86.6(4) . .
O23 W12 O26 86.3(4) . .
O28 W12 O8 171.6(4) . .
O29 W12 O8 73.5(4) . .
O33 W12 O8 85.1(4) . .
O23 W12 O8 74.7(4) . .
O26 W12 O8 83.7(4) . .
O44 W13 O41 102.7(5) . .
O44 W13 O45 100.9(5) . .
O41 W13 O45 93.4(4) . .
O44 W13 O46 100.3(4) . .
O41 W13 O46 94.9(4) . .
O45 W13 O46 154.9(4) . .
O44 W13 O47 96.6(4) . .
O41 W13 O47 160.6(4) . .
O45 W13 O47 81.4(4) . .
O46 W13 O47 83.0(4) . .
O44 W13 O54 170.2(4) . .
O41 W13 O54 86.3(4) . .
O45 W13 O54 82.1(4) . .
O46 W13 O54 74.8(4) . .
O47 W13 O54 74.5(4) . .
O44 W13 K6 63.0(4) . .
O41 W13 K6 123.3(3) . .
O45 W13 K6 141.6(3) . .
O46 W13 K6 43.8(3) . .
O47 W13 K6 67.4(3) . .
O54 W13 K6 108.9(3) . .
O44 W13 K6 87.6(4) . 2
O41 W13 K6 52.5(3) . 2
O45 W13 K6 145.8(3) . 2
O46 W13 K6 48.3(3) . 2
O47 W13 K6 130.9(3) . 2
O54 W13 K6 95.0(3) . 2
K6 W13 K6 71.5(2) . 2
O94 W14 O84 102.7(5) . .
O94 W14 O92 101.9(5) . .
O84 W14 O92 94.2(4) . .
O94 W14 O95 100.2(5) . .
O84 W14 O95 94.5(5) . .
O92 W14 O95 153.8(4) . .
O94 W14 O99 97.2(5) . .
O84 W14 O99 160.1(4) . .
O92 W14 O99 81.8(4) . .
O95 W14 O99 81.6(4) . .
O94 W14 O89 169.4(4) . .
O84 W14 O89 86.3(4) . .
O92 W14 O89 82.8(4) . .
O95 W14 O89 73.3(4) . .
O99 W14 O89 73.9(4) . .
O94 W14 K3 54.8(4) . 2_566
O84 W14 K3 48.2(3) . 2_566
O92 W14 K3 107.4(3) . 2_566
O95 W14 K3 96.8(3) . 2_566
O99 W14 K3 151.4(3) . 2_566
O89 W14 K3 133.2(3) . 2_566
O94 W14 K3' 49.6(5) . 2_566
O84 W14 K3' 54.7(5) . 2_566
O92 W14 K3' 92.3(5) . 2_566
O95 W14 K3' 112.8(5) . 2_566
O99 W14 K3' 144.5(5) . 2_566
O89 W14 K3' 140.4(4) . 2_566
K3 W14 K3' 16.7(3) 2_566 2_566
O94 W14 K8 62.2(4) . 2_566
O84 W14 K8 122.7(4) . 2_566
O92 W14 K8 141.4(3) . 2_566
O95 W14 K8 44.2(3) . 2_566
O99 W14 K8 67.1(3) . 2_566
O89 W14 K8 108.3(3) . 2_566
K3 W14 K8 91.86(18) 2_566 2_566
K3' W14 K8 99.9(4) 2_566 2_566
O94 W14 K8 87.7(4) . .
O84 W14 K8 52.4(4) . .
O92 W14 K8 146.6(3) . .
O95 W14 K8 47.9(3) . .
O99 W14 K8 129.2(3) . .
O89 W14 K8 93.6(3) . .
K3 W14 K8 52.9(2) 2_566 .
K3' W14 K8 69.5(4) 2_566 .
K8 W14 K8 71.2(2) 2_566 .
O77 W15 O76 100.4(4) . .
O77 W15 O74 101.4(5) . .
O76 W15 O74 89.9(4) . .
O77 W15 O70 99.6(5) . .
O76 W15 O70 89.8(4) . .
O74 W15 O70 158.7(4) . .
O77 W15 O66 101.8(5) . .
O76 W15 O66 157.8(4) . .
O74 W15 O66 86.4(4) . .
O70 W15 O66 85.8(4) . .
O77 W15 O61 171.8(4) . .
O76 W15 O61 74.0(4) . .
O74 W15 O61 84.8(4) . .
O70 W15 O61 74.7(4) . .
O66 W15 O61 83.8(4) . .
O12 W16 O11 101.9(5) . .
O12 W16 O15 101.1(5) . .
O11 W16 O15 86.9(5) . .
O12 W16 O2 99.2(5) . .
O11 W16 O2 93.2(4) . .
O15 W16 O2 159.3(4) . .
O12 W16 O13 99.0(5) . .
O11 W16 O13 158.8(4) . .
O15 W16 O13 85.4(5) . .
O2 W16 O13 87.2(4) . .
O12 W16 O7 169.3(5) . .
O11 W16 O7 86.5(4) . .
O15 W16 O7 86.0(4) . .
O2 W16 O7 73.3(4) . .
O13 W16 O7 73.3(4) . .
O12 W16 K11 52.6(4) . .
O11 W16 K11 51.0(3) . .
O15 W16 K11 85.4(3) . .
O2 W16 K11 110.6(3) . .
O13 W16 K11 147.4(3) . .
O7 W16 K11 136.9(3) . .
O12 W16 K11' 53.3(5) . 2_455
O11 W16 K11' 54.7(4) . 2_455
O15 W16 K11' 75.6(4) . 2_455
O2 W16 K11' 120.9(4) . 2_455
O13 W16 K11' 140.9(4) . 2_455
O7 W16 K11' 137.1(4) . 2_455
K11 W16 K11' 10.3(3) . 2_455
O12 W16 K11' 53.2(5) . .
O11 W16 K11' 48.7(4) . .
O15 W16 K11' 95.2(4) . .
O2 W16 K11' 100.4(4) . .
O13 W16 K11' 151.8(4) . .
O7 W16 K11' 134.8(3) . .
K11 W16 K11' 10.3(3) . .
K11' W16 K11' 20.6(5) 2_455 .
O12 W16 K12 46.1(7) . .
O11 W16 K12 95.3(6) . .
O15 W16 K12 55.0(6) . .
O2 W16 K12 145.3(6) . .
O13 W16 K12 96.3(6) . .
O7 W16 K12 140.7(6) . .
K11 W16 K12 53.4(5) . .
K11' W16 K12 44.8(6) 2_455 .
K11' W16 K12 62.3(6) . .
O111 W17 O93 102.3(5) . .
O111 W17 O98 101.3(5) . .
O93 W17 O98 88.3(4) . .
O111 W17 O112 98.2(5) . .
O93 W17 O112 92.4(4) . .
O98 W17 O112 159.9(4) . .
O111 W17 O107 100.2(5) . .
O93 W17 O107 157.4(4) . .
O98 W17 O107 84.7(4) . .
O112 W17 O107 87.1(4) . .
O111 W17 O88 169.8(4) . .
O93 W17 O88 84.8(4) . .
O98 W17 O88 86.0(4) . .
O112 W17 O88 74.1(4) . .
O107 W17 O88 73.3(4) . .
O109 W18 O110 100.6(5) . .
O109 W18 O114 100.6(5) . .
O110 W18 O114 91.2(4) . .
O109 W18 O102 99.4(5) . .
O110 W18 O102 87.6(5) . .
O114 W18 O102 159.8(4) . .
O109 W18 O106 102.4(5) . .
O110 W18 O106 156.8(4) . .
O114 W18 O106 87.4(4) . .
O102 W18 O106 85.9(4) . .
O109 W18 O87 171.7(5) . .
O110 W18 O87 73.7(4) . .
O114 W18 O87 85.7(4) . .
O102 W18 O87 74.6(4) . .
O106 W18 O87 83.1(4) . .
O57 W19 O60 101.9(5) . .
O57 W19 O42 100.9(5) . .
O60 W19 O42 98.4(4) . .
O57 W19 O56 97.2(4) . .
O60 W19 O56 157.6(4) . .
O42 W19 O56 89.3(4) . .
O57 W19 O75 96.5(5) . .
O60 W19 O75 88.1(4) . .
O42 W19 O75 159.7(4) . .
O56 W19 O75 78.1(4) . .
O57 W19 O58 179.3(4) . .
O60 W19 O58 78.6(4) . .
O42 W19 O58 79.6(4) . .
O56 W19 O58 82.3(4) . .
O75 W19 O58 83.0(4) . .
O57 W19 K6 83.6(4) . 2
O60 W19 K6 144.3(3) . 2
O42 W19 K6 46.3(3) . 2
O56 W19 K6 49.3(3) . 2
O75 W19 K6 126.7(3) . 2
O58 W19 K6 96.4(3) . 2
O37 W20 O32 101.9(5) . .
O37 W20 O36 101.2(5) . .
O32 W20 O36 94.4(4) . .
O37 W20 O33 100.7(5) . .
O32 W20 O33 94.1(4) . .
O36 W20 O33 154.3(4) . .
O37 W20 O34 98.0(5) . .
O32 W20 O34 160.1(5) . .
O36 W20 O34 82.2(4) . .
O33 W20 O34 81.6(4) . .
O37 W20 O9 170.3(4) . .
O32 W20 O9 86.6(4) . .
O36 W20 O9 73.2(4) . .
O33 W20 O9 83.2(4) . .
O34 W20 O9 73.7(4) . .
O96 W21 O91 102.6(5) . .
O96 W21 O98 101.2(5) . .
O91 W21 O98 88.2(4) . .
O96 W21 O95 98.7(5) . .
O91 W21 O95 90.5(4) . .
O98 W21 O95 159.8(4) . .
O96 W21 O97 99.5(5) . .
O91 W21 O97 157.9(4) . .
O98 W21 O97 86.5(4) . .
O95 W21 O97 87.2(4) . .
O96 W21 O89 170.1(4) . .
O91 W21 O89 84.1(4) . .
O98 W21 O89 86.2(4) . .
O95 W21 O89 73.7(4) . .
O97 W21 O89 74.1(4) . .
O96 W21 K8 82.8(4) . .
O91 W21 K8 47.9(4) . .
O98 W21 K8 134.9(3) . .
O95 W21 K8 51.1(3) . .
O97 W21 K8 137.6(3) . .
O89 W21 K8 96.8(3) . .
O96 W21 K3 25.1(4) . .
O91 W21 K3 121.5(3) . .
O98 W21 K3 115.4(3) . .
O95 W21 K3 82.2(3) . .
O97 W21 K3 80.0(3) . .
O89 W21 K3 145.1(3) . .
K8 W21 K3 86.78(17) . .
O25 W22 O34 100.7(5) . .
O25 W22 O26 102.8(5) . .
O34 W22 O26 85.6(4) . .
O25 W22 O24 100.6(5) . .
O34 W22 O24 158.6(4) . .
O26 W22 O24 88.3(4) . .
O25 W22 O27 101.1(5) . .
O34 W22 O27 87.7(5) . .
O26 W22 O27 156.0(4) . .
O24 W22 O27 89.5(5) . .
O25 W22 O9 173.6(4) . .
O34 W22 O9 75.4(4) . .
O26 W22 O9 82.1(4) . .
O24 W22 O9 83.5(4) . .
O27 W22 O9 73.9(4) . .
O35 W23 O31 103.6(5) . .
O35 W23 O15 100.8(5) . .
O31 W23 O15 87.8(5) . .
O35 W23 O36 99.5(5) . .
O31 W23 O36 91.1(4) . .
O15 W23 O36 159.4(4) . .
O35 W23 O27 98.0(5) . .
O31 W23 O27 158.3(4) . .
O15 W23 O27 86.1(5) . .
O36 W23 O27 87.5(5) . .
O35 W23 O9 168.8(4) . .
O31 W23 O9 85.3(4) . .
O15 W23 O9 86.2(4) . .
O36 W23 O9 73.2(4) . .
O27 W23 O9 73.5(4) . .
O101 W24 O117 100.3(5) . .
O101 W24 O92 102.1(5) . .
O117 W24 O92 91.2(4) . .
O101 W24 O102 99.2(5) . .
O117 W24 O102 88.4(4) . .
O92 W24 O102 158.4(4) . .
O101 W24 O103 102.4(5) . .
O117 W24 O103 157.2(4) . .
O92 W24 O103 85.7(4) . .
O102 W24 O103 86.4(4) . .
O101 W24 O87 171.7(5) . .
O117 W24 O87 74.1(4) . .
O92 W24 O87 84.4(4) . .
O102 W24 O87 74.8(4) . .
O103 W24 O87 83.1(4) . .
O113 W25 O115 102.5(5) . .
O113 W25 O112 100.1(5) . .
O115 W25 O112 94.0(5) . .
O113 W25 O114 101.6(5) . .
O115 W25 O114 94.2(4) . .
O112 W25 O114 154.4(4) . .
O113 W25 O108 97.0(5) . .
O115 W25 O108 160.5(5) . .
O112 W25 O108 82.3(4) . .
O114 W25 O108 81.9(4) . .
O113 W25 O88 169.8(4) . .
O115 W25 O88 86.2(4) . .
O112 W25 O88 73.5(4) . .
O114 W25 O88 82.9(4) . .
O108 W25 O88 74.4(4) . .
O20 W26 O21 103.2(5) . .
O20 W26 O22 99.8(5) . .
O21 W26 O22 97.6(4) . .
O20 W26 O31 96.1(4) . .
O21 W26 O31 157.9(4) . .
O22 W26 O31 89.5(4) . .
O20 W26 O11 96.6(5) . .
O21 W26 O11 88.8(4) . .
O22 W26 O11 160.6(4) . .
O31 W26 O11 78.3(4) . .
O20 W26 O6 178.9(4) . .
O21 W26 O6 77.9(4) . .
O22 W26 O6 79.8(4) . .
O31 W26 O6 82.8(4) . .
O11 W26 O6 83.6(4) . .
O20 W26 K11 45.1(4) . .
O21 W26 K11 104.6(3) . .
O22 W26 K11 141.7(3) . .
O31 W26 K11 81.5(3) . .
O11 W26 K11 51.9(3) . .
O6 W26 K11 134.9(2) . .
O20 W26 K11' 45.9(5) . .
O21 W26 K11' 94.3(4) . .
O22 W26 K11' 145.6(4) . .
O31 W26 K11' 91.4(4) . .
O11 W26 K11' 51.0(4) . .
O6 W26 K11' 134.3(4) . .
K11 W26 K11' 10.4(3) . .
O20 W26 K11' 46.1(4) . 2_455
O21 W26 K11' 114.8(4) . 2_455
O22 W26 K11' 136.0(4) . 2_455
O31 W26 K11' 71.7(4) . 2_455
O11 W26 K11' 54.1(4) . 2_455
O6 W26 K11' 133.6(3) . 2_455
K11 W26 K11' 10.2(3) . 2_455
K11' W26 K11' 20.6(5) . 2_455
O83 W27 O116 101.3(5) . .
O83 W27 O80 102.2(5) . .
O116 W27 O80 99.1(4) . .
O83 W27 O91 97.0(5) . .
O116 W27 O91 157.9(4) . .
O80 W27 O91 89.0(4) . .
O83 W27 O93 95.9(5) . .
O116 W27 O93 87.0(4) . .
O80 W27 O93 159.3(4) . .
O91 W27 O93 78.8(4) . .
O83 W27 O82 178.6(5) . .
O116 W27 O82 78.6(4) . .
O80 W27 O82 79.2(4) . .
O91 W27 O82 82.8(4) . .
O93 W27 O82 82.7(4) . .
O83 W27 K8 83.5(4) . .
O116 W27 K8 145.5(3) . .
O80 W27 K8 46.9(3) . .
O91 W27 K8 48.9(3) . .
O93 W27 K8 126.9(3) . .
O82 W27 K8 97.3(3) . .
O105 W28 O108 100.5(5) . .
O105 W28 O106 103.4(5) . .
O108 W28 O106 87.4(4) . .
O105 W28 O107 101.1(5) . .
O108 W28 O107 86.6(4) . .
O106 W28 O107 155.5(4) . .
O105 W28 O104 100.6(5) . .
O108 W28 O104 158.9(4) . .
O106 W28 O104 87.2(4) . .
O107 W28 O104 90.0(4) . .
O105 W28 O88 173.3(4) . .
O108 W28 O88 75.6(4) . .
O106 W28 O88 82.1(4) . .
O107 W28 O88 73.4(4) . .
O104 W28 O88 83.5(4) . .
O105 W28 K9 48.0(4) . 2_566
O108 W28 K9 148.1(4) . 2_566
O106 W28 K9 94.6(3) . 2_566
O107 W28 K9 103.0(3) . 2_566
O104 W28 K9 52.8(3) . 2_566
O88 W28 K9 136.2(3) . 2_566
O105 W28 K10 34.3(4) . 1_455
O108 W28 K10 71.9(4) . 1_455
O106 W28 K10 119.4(3) . 1_455
O107 W28 K10 81.0(3) . 1_455
O104 W28 K10 128.1(3) . 1_455
O88 W28 K10 139.4(2) . 1_455
K9 W28 K10 79.58(19) 2_566 1_455
O14 W29 O13 101.6(5) . .
O14 W29 O16 101.8(5) . .
O13 W29 O16 156.3(5) . .
O14 W29 O24 101.1(5) . .
O13 W29 O24 91.1(4) . .
O16 W29 O24 88.2(4) . .
O14 W29 O5 100.3(5) . .
O13 W29 O5 86.7(4) . .
O16 W29 O5 85.3(4) . .
O24 W29 O5 158.5(4) . .
O14 W29 O7 173.5(5) . .
O13 W29 O7 74.3(4) . .
O16 W29 O7 82.1(4) . .
O24 W29 O7 84.2(4) . .
O5 W29 O7 74.6(4) . .
O1 W30 O4 102.9(5) . .
O1 W30 O3 102.1(5) . .
O4 W30 O3 94.5(5) . .
O1 W30 O2 98.8(5) . .
O4 W30 O2 93.5(4) . .
O3 W30 O2 155.3(4) . .
O1 W30 O5 96.8(5) . .
O4 W30 O5 160.3(4) . .
O3 W30 O5 82.4(4) . .
O2 W30 O5 82.3(4) . .
O1 W30 O7 168.6(4) . .
O4 W30 O7 86.3(4) . .
O3 W30 O7 83.6(4) . .
O2 W30 O7 73.6(4) . .
O5 W30 O7 74.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 Fe7 2.083(14) .
Cl1 K2 3.013(5) 2_565
Cl1 K5 3.025(5) 2_565
Cl1 K1 3.029(5) 2_565
Cl2 Fe7 2.459(15) .
Fe1 O39 1.918(10) .
Fe1 O40 1.989(10) .
Fe1 O43 1.991(10) .
Fe1 O41 1.995(10) .
Fe1 O42 2.015(10) .
Fe1 O58 2.254(10) .
Fe1 K5 3.808(4) 2_565
Fe1 K6 3.926(8) 2
Fe2 O86 1.904(10) .
Fe2 O21 1.991(9) .
Fe2 O4 1.993(10) .
Fe2 O38 1.994(10) .
Fe2 O10 1.997(9) .
Fe2 O6 2.262(9) .
Fe2 K2 3.769(4) 2_565
Fe3 O39 1.944(10) .
Fe3 O38 1.975(9) .
Fe3 O32 1.983(10) .
Fe3 O30 1.998(10) .
Fe3 O22 2.034(10) .
Fe3 O6 2.260(10) .
Fe3 K5 3.797(4) 2_565
Fe4 O78 1.893(10) .
Fe4 O73 1.979(11) .
Fe4 O59 1.995(10) .
Fe4 O40 1.999(10) .
Fe4 O60 2.002(10) .
Fe4 O58 2.304(10) .
Fe4 K3 3.692(8) 2_566
Fe4 K1 3.753(4) 2_565
Fe4 K3' 3.95(2) 2_566
Fe5 O86 1.896(10) .
Fe5 O115 1.972(11) .
Fe5 O79 1.981(10) .
Fe5 O90 1.994(9) .
Fe5 O116 2.007(10) .
Fe5 O82 2.261(10) .
Fe5 K2 3.798(4) 2_565
Fe6 O78 1.867(10) .
Fe6 O79 1.978(10) .
Fe6 O84 1.984(10) .
Fe6 O81 2.004(10) .
Fe6 O80 2.018(9) .
Fe6 O82 2.275(10) .
Fe6 K3 3.653(8) 2_566
Fe6 K1 3.744(4) 2_565
Fe6 K3' 3.92(2) 2_566
Fe6 K8 3.971(9) .
Fe7 O38 1.81(2) .
Fe7 O79 1.86(2) .
Fe7 O40 2.13(2) .
Fe7 K2 3.855(17) 2_565
K1 O19 2.642(10) .
K1 O59 2.794(10) 2_565
K1 O81 2.806(10) 2_565
K1 O407 2.882(13) .
K1 O408 2.914(13) .
K1 O78 3.019(10) 2_565
K1 Cl1 3.029(5) 2_565
K1 O85 3.176(12) 2_565
K1 O50 3.183(11) 2_565
K1 Fe6 3.744(4) 2_565
K1 Fe4 3.753(4) 2_565
K1 W1 3.755(4) 2_565
K2 O50 2.649(10) .
K2 O90 2.808(11) 2_565
K2 O10 2.830(10) 2_565
K2 O404 2.914(12) .
K2 O403 2.917(12) .
K2 Cl1 3.013(5) 2_565
K2 O86 3.024(11) 2_565
K2 O85 3.107(11) 2_565
K2 O19 3.189(11) 2_565
K2 W2 3.729(4) 2_565
K2 Fe2 3.769(4) 2_565
K2 W4 3.773(3) 2_565
K3' K3 1.08(2) .
K3' O451 1.77(3) .
K3' O72 2.81(2) 2_566
K3' O94 2.95(3) 2_566
K3' O78 2.96(2) 2_566
K3' O96 3.05(3) .
K3' O73 3.08(2) 2_566
K3' O84 3.09(3) 2_566
K3' O407 3.40(3) 1_556
K3' W8 3.69(2) 2_566
K3' W14 3.76(2) 2_566
K3' Fe6 3.92(2) 2_566
K3 O96 2.615(13) .
K3 O78 2.765(12) 2_566
K3 O84 2.797(13) 2_566
K3 O73 2.819(13) 2_566
K3 O451 2.84(3) .
K3 O72 2.925(14) 2_566
K3 O94 3.008(13) 2_566
K3 O410 3.145(16) 2_566
K3 K8 3.379(14) 2_566
K3 W8 3.624(8) 2_566
K3 W14 3.652(8) 2_566
K4 O438 2.75(3) .
K4 O437 2.79(3) .
K4 O35 2.794(10) .
K4 O402 2.820(12) 2_455
K4 O65 2.926(12) 2
K4 O51 2.989(12) 2
K4 O465 3.01(5) 2_455
K4 O111 3.072(11) 2_455
K4 O64 3.077(11) 2
K4 W11 3.809(5) 2
K4 W3 3.853(5) 2
K4 K12 4.58(4) .
K5 O85 2.626(10) .
K5 O30 2.818(10) 2_565
K5 O43 2.827(11) 2_565
K5 O412 2.929(12) .
K5 O409 2.939(13) .
K5 Cl1 3.025(5) 2_565
K5 O39 3.055(10) 2_565
K5 O19 3.118(11) 2_565
K5 O50 3.131(11) 2_565
K5 W4 3.745(4) 2_565
K5 W1 3.751(4) 2_565
K5 Fe3 3.797(4) 2_565
K6 O457 2.01(6) .
K6 O46 2.809(12) .
K6 O401 2.832(14) .
K6 O42 2.872(12) 2
K6 O56 2.932(13) 2
K6 O46 2.960(13) 2
K6 O41 3.129(12) 2
K6 O426 3.30(2) 2
K6 O405 3.389(18) .
K6 W5 3.813(8) 2
K6 W19 3.817(7) 2
K6 W13 3.871(7) .
K7 O48 2.690(13) .
K7 O109 2.698(13) 2_565
K7 O434 2.72(2) .
K7 O1 2.836(12) 1_655
K7 O433 2.890(18) .
K7 O421 3.020(18) 1_655
K7 O419 3.046(19) .
K7 O422 3.35(2) 2_565
K8 O410 2.800(15) .
K8 O95 2.823(13) 2_566
K8 O80 2.872(13) .
K8 O91 2.898(14) .
K8 O95 2.986(13) .
K8 O440 3.15(3) 2_566
K8 O84 3.159(14) .
K8 O427 3.18(3) .
K8 K3 3.379(14) 2_566
K8 O94 3.424(15) 2_566
K8 W27 3.790(8) .
K8 W21 3.794(9) .
K9 O464 2.71(5) 2
K9 O69 2.803(14) .
K9 O463 2.81(7) .
K9 O100 2.926(14) 2_566
K9 O423 2.94(2) 2_566
K9 O105 2.949(14) 2_566
K9 O473 2.97(5) .
K9 O104 3.051(13) 2_566
K9 W9 3.792(9) 2_566
K9 W28 3.803(8) 2_566
K10 O18 2.731(13) 2_565
K10 O77 2.770(13) .
K10 O424 2.83(2) .
K10 O431 2.87(2) 1_655
K10 O468 2.87(6) 1_655
K10 O105 2.891(14) 1_655
K10 O428 3.02(3) .
K10 W28 4.137(8) 1_655
K11 K11' 0.675(18) 2_455
K11 K11' 0.675(18) .
K11 O458 2.73(3) .
K11 O458 2.73(3) 2_455
K11 O20 2.776(11) .
K11 O20 2.776(11) 2_455
K11 O11 2.931(9) 2_455
K11 O11 2.932(9) .
K11 O12 3.003(11) .
K11 O12 3.003(11) 2_455
K11 K12 3.52(4) .
K11 K12 3.52(4) 2_455
K11' K11' 1.35(4) 2_455
K11' O458 2.11(3) .
K11' O20 2.82(2) .
K11' O20 2.897(19) 2_455
K11' O11 2.919(19) .
K11' K12 3.01(4) 2_455
K11' O12 3.07(2) 2_455
K11' O12 3.08(2) .
K11' O11 3.095(18) 2_455
K11' O453 3.36(4) 1_455
K11' O458 3.38(3) 2_455
K12 O437 2.74(4) .
K12 O432 2.89(5) 2_455
K12 K11' 3.01(4) 2_455
K12 O458 3.04(5) 2_455
K12 O12 3.15(4) .
K12 O20 3.16(4) 2_455
K12 O455 3.27(4) 2_455
K12 O35 3.36(4) .
K12 O15 3.38(4) .
K12 W16 4.09(4) .
O1 W30 1.732(10) .
O1 K7 2.836(12) 1_455
O2 W30 1.936(9) .
O2 W16 1.938(10) .
O3 W10 1.909(11) .
O3 W30 1.925(10) .
O4 W30 1.796(10) .
O5 W29 1.913(10) .
O5 W30 1.986(10) .
O6 Si1 1.622(11) .
O6 W26 2.307(9) .
O7 Si1 1.661(11) .
O7 W30 2.323(10) .
O7 W16 2.333(9) .
O7 W29 2.351(10) .
O8 Si1 1.647(10) .
O8 W4 2.325(9) .
O8 W12 2.366(10) .
O8 W10 2.378(9) .
O9 Si1 1.657(10) .
O9 W20 2.331(10) .
O9 W23 2.333(10) .
O9 W22 2.349(10) .
O10 W4 1.807(9) .
O10 K2 2.830(9) 2_565
O11 W16 1.848(11) .
O11 W26 2.026(11) .
O11 K11' 3.095(18) 2_455
O12 W16 1.713(11) .
O12 K11' 3.07(2) 2_455
O13 W29 1.902(11) .
O13 W16 1.983(11) .
O14 W29 1.723(11) .
O15 W16 1.905(10) .
O15 W23 1.917(11) .
O16 W29 1.904(10) .
O16 W10 1.947(10) .
O17 W10 1.868(10) .
O17 W4 2.051(10) .
O18 W10 1.708(11) .
O18 K10 2.731(13) 2_565
O19 W4 1.730(9) .
O19 K5 3.118(11) 2_565
O19 K2 3.188(11) 2_565
O20 W26 1.732(10) .
O20 K11' 2.897(19) 2_455
O20 K12 3.16(4) 2_455
O21 W26 1.829(10) .
O22 W26 1.838(10) .
O23 W10 1.921(11) .
O23 W12 1.928(10) .
O24 W29 1.907(10) .
O24 W22 1.910(11) .
O25 W22 1.711(11) .
O26 W22 1.896(10) .
O26 W12 1.940(10) .
O27 W22 1.918(10) .
O27 W23 1.963(10) .
O28 W12 1.723(10) .
O29 W12 1.857(10) .
O29 W4 2.059(10) .
O30 W4 1.813(10) .
O30 K5 2.818(10) 2_565
O31 W23 1.843(10) .
O31 W26 2.022(10) .
O32 W20 1.783(10) .
O33 W12 1.902(10) .
O33 W20 1.936(10) .
O34 W22 1.886(11) .
O34 W20 2.006(10) .
O35 W23 1.720(9) .
O36 W23 1.932(10) .
O36 W20 1.936(9) .
O37 W20 1.724(11) .
O39 K5 3.055(10) 2_565
O41 W13 1.768(11) .
O41 K6 3.129(12) 2
O42 W19 1.841(10) .
O42 K6 2.872(12) 2
O43 W1 1.808(9) .
O43 K5 2.827(11) 2_565
O44 W13 1.726(10) .
O45 W7 1.914(9) .
O45 W13 1.916(9) .
O46 W5 1.939(10) .
O46 W13 1.948(10) .
O46 K6 2.960(13) 2
O47 W3 1.894(10) .
O47 W13 2.009(10) .
O48 W7 1.726(11) .
O49 W7 1.873(10) .
O49 W1 2.061(10) .
O50 W1 1.703(10) .
O50 K5 3.131(11) 2_565
O50 K1 3.183(11) 2_565
O51 W3 1.714(10) .
O51 K4 2.989(12) 2
O52 W7 1.904(10) .
O52 W3 1.913(10) .
O53 W3 1.917(9) .
O53 W5 1.961(10) .
O54 Si3 1.645(10) .
O54 W13 2.303(10) .
O54 W3 2.357(10) .
O54 W5 2.363(9) .
O55 W5 1.717(9) .
O56 W5 1.849(10) .
O56 W19 2.025(10) .
O56 K6 2.932(13) 2
O57 W19 1.739(10) .
O58 Si3 1.622(10) .
O58 W19 2.294(9) .
O59 W1 1.808(10) .
O59 K1 2.794(10) 2_565
O60 W19 1.838(10) .
O61 Si3 1.653(10) .
O61 W1 2.319(10) .
O61 W7 2.360(9) .
O61 W15 2.385(9) .
O62 Si3 1.642(10) .
O62 W6 2.339(9) .
O62 W11 2.344(10) .
O62 W8 2.349(9) .
O63 W6 1.906(9) .
O63 W5 1.919(10) .
O64 W11 1.899(10) .
O64 W3 1.932(10) .
O64 K4 3.077(11) 2
O65 W11 1.716(11) .
O65 K4 2.926(12) 2
O66 W11 1.917(10) .
O66 W15 1.927(10) .
O67 W11 1.905(10) .
O67 W6 1.969(10) .
O68 W11 1.877(10) .
O68 W8 2.035(11) .
O69 W6 1.713(11) .
O70 W15 1.918(10) .
O70 W7 1.936(10) .
O71 W8 1.931(9) .
O71 W6 1.939(9) .
O72 W8 1.728(10) .
O72 K3' 2.81(2) 2_566
O72 K3 2.925(14) 2_566
O73 W8 1.796(11) .
O73 K3 2.819(13) 2_566
O73 K3' 3.08(2) 2_566
O74 W15 1.897(10) .
O74 W8 1.928(10) .
O75 W6 1.846(10) .
O75 W19 2.028(10) .
O76 W15 1.866(10) .
O76 W1 2.074(10) .
O77 W15 1.727(9) .
O78 K3 2.765(12) 2_566
O78 K3' 2.96(2) 2_566
O78 K1 3.019(10) 2_565
O80 W27 1.826(10) .
O81 W2 1.805(10) .
O81 K1 2.806(10) 2_565
O82 Si2 1.634(10) .
O82 W27 2.291(9) .
O83 W27 1.738(10) .
O84 W14 1.798(10) .
O84 K3 2.797(13) 2_566
O84 K3' 3.09(3) 2_566
O85 W2 1.734(10) .
O85 K2 3.107(11) 2_565
O85 K1 3.175(12) 2_565
O86 K2 3.024(11) 2_565
O87 Si2 1.661(10) .
O87 W2 2.313(10) .
O87 W24 2.367(9) .
O87 W18 2.379(10) .
O88 Si2 1.646(10) .
O88 W17 2.331(9) .
O88 W25 2.342(9) .
O88 W28 2.363(9) .
O89 Si2 1.625(10) .
O89 W14 2.338(10) .
O89 W21 2.339(9) .
O89 W9 2.364(9) .
O90 W2 1.812(9) .
O90 K2 2.808(11) 2_565
O91 W21 1.855(10) .
O91 W27 2.010(10) .
O92 W24 1.909(10) .
O92 W14 1.917(10) .
O93 W17 1.835(10) .
O93 W27 2.034(10) .
O94 W14 1.737(11) .
O94 K3' 2.95(3) 2_566
O94 K3 3.008(13) 2_566
O94 K8 3.424(15) 2_566
O95 W21 1.924(11) .
O95 W14 1.949(10) .
O95 K8 2.823(13) 2_566
O96 W21 1.723(11) .
O97 W9 1.919(10) .
O97 W21 1.957(10) .
O98 W17 1.911(10) .
O98 W21 1.924(10) .
O99 W9 1.875(11) .
O99 W14 2.011(10) .
O100 W9 1.723(10) .
O100 K9 2.926(14) 2_566
O101 W24 1.731(10) .
O102 W18 1.926(10) .
O102 W24 1.934(10) .
O103 W9 1.888(11) .
O103 W24 1.938(11) .
O104 W9 1.911(10) .
O104 W28 1.921(10) .
O104 K9 3.051(13) 2_566
O105 W28 1.706(11) .
O105 K10 2.891(14) 1_455
O105 K9 2.949(14) 2_566
O106 W28 1.902(10) .
O106 W18 1.937(10) .
O107 W28 1.913(10) .
O107 W17 1.965(10) .
O108 W28 1.895(11) .
O108 W25 1.994(11) .
O109 W18 1.729(11) .
O109 K7 2.698(13) 2_565
O110 W18 1.859(10) .
O110 W2 2.071(10) .
O111 W17 1.713(10) .
O111 K4 3.072(11) 2_455
O112 W17 1.927(11) .
O112 W25 1.942(11) .
O113 W25 1.748(11) .
O114 W18 1.891(9) .
O114 W25 1.946(10) .
O115 W25 1.807(10) .
O116 W27 1.823(10) .
O117 W24 1.861(10) .
O117 W2 2.075(9) .
O402 K4 2.820(12) 2_455
O405 O414 1.217(18) 2
O407 K3' 3.40(3) 1_554
O410 K3 3.145(16) 2_566
O413 O453 0.73(3) .
O414 O405 1.217(18) 2
O414 O459 1.68(4) .
O415 O470 0.71(4) .
O420 O455 1.10(2) .
O421 K7 3.020(18) 1_455
O422 O468 1.24(6) .
O422 K7 3.35(2) 2_565
O423 K9 2.94(2) 2_566
O426 K6 3.30(2) 2
O430 O467 1.74(7) .
O431 K10 2.87(2) 1_455
O432 K12 2.89(5) 2_455
O440 K8 3.15(3) 2_566
O443 O474 1.67(6) .
O450 O469 1.57(6) .
O453 K11' 3.36(4) 1_655
O455 K12 3.27(4) 2_455
O458 K12 3.04(5) 2_455
O458 K11' 3.38(3) 2_455
O463 O473 1.55(7) .
O464 K9 2.71(5) 2
O465 K4 3.01(5) 2_455
O468 K10 2.87(6) 1_455
W1 K5 3.751(4) 2_565
W1 K1 3.755(4) 2_565
W2 K2 3.729(4) 2_565
W2 K1 3.764(4) 2_565
W3 K4 3.853(5) 2
W4 K5 3.745(4) 2_565
W4 K2 3.773(3) 2_565
W5 K6 3.813(8) 2
W8 K3 3.624(8) 2_566
W8 K3' 3.69(2) 2_566
W9 K9 3.792(9) 2_566
W11 K4 3.809(5) 2
W13 K6 3.874(8) 2
W14 K3 3.652(8) 2_566
W14 K3' 3.76(2) 2_566
W14 K8 3.870(9) 2_566
W16 K11' 3.773(16) 2_455
W19 K6 3.818(7) 2
W26 K11' 3.814(16) 2_455
W28 K9 3.803(8) 2_566
W28 K10 4.136(8) 1_455
