#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:50:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179515 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/12/4341263.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_4341263
loop_
_publ_author_name
'Kalaji, Ali'
'Soderholm, L.'
_publ_section_title
;
 Aqueous hafnium sulfate chemistry: structures of crystalline
 precipitates.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11252
_journal_page_last               11260
_journal_paper_doi               10.1021/ic501841e
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'H116.92 Hf18.12 N5.64 O134.26 S15.88'
_chemical_formula_weight         6096.84
_space_group_crystal_system      hexagonal
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   notdet
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   34.763(2)
_cell_length_b                   34.763(2)
_cell_length_c                   18.7107(13)
_cell_measurement_reflns_used    9427
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      31.6148
_cell_measurement_theta_min      2.2797
_cell_volume                     19582(2)
_computing_cell_refinement       'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'XS, SHELXTL Ver. 6.12 (Bruker 2001)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'BRUKER APEX II CCD'
_diffrn_measurement_method       '0.3 deg w/ exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            338257
_diffrn_reflns_theta_full        31.67
_diffrn_reflns_theta_max         31.67
_diffrn_reflns_theta_min         1.17
_diffrn_source                   'Mo Kalpha Microfocus X-ray Source'
_diffrn_source_type              'I\mS Incoatec Mo Microfocus Source'
_exptl_absorpt_coefficient_mu    14.758
_exptl_absorpt_correction_T_max  0.63
_exptl_absorpt_correction_T_min  0.45
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    3.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             16756
_exptl_crystal_size_max          0.149
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.034
_refine_diff_density_max         6.421
_refine_diff_density_min         -3.467
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     929
_refine_ls_number_reflns         22530
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0412P)²+610.2487P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1149
_reflns_number_gt                19529
_reflns_number_total             22530
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic501841e_si_002.cif
_cod_data_source_block           Hf_18_19mer
_cod_depositor_comments
'Adding full bibliography for 4341262--4341267.cif.'
_cod_original_cell_volume        19582.(3)
_cod_database_code               4341263
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Hf Hf2 0.25012(2) 0.24909(2) 0.15708(2) 0.01067(6) Uani d . . . 1 . .
Hf Hf1 0.34825(2) 0.32057(2) 0.25 0.01079(7) Uani d T P S 1 . .
Hf Hf4 0.20157(2) 0.29748(2) 0.25 0.01033(7) Uani d T P S 1 . .
Hf Hf3 0.29399(2) 0.36733(2) 0.15667(2) 0.01088(6) Uani d . . . 1 . .
Hf Hf10 0.36732(2) 0.48412(2) 0.15233(2) 0.01539(6) Uani d . . . 1 . .
Hf Hf6 0.24292(2) 0.14435(2) 0.15235(2) 0.01358(6) Uani d . . . 1 . .
Hf Hf5 0.16619(2) 0.16197(2) 0.25 0.01242(8) Uani d T P S 1 A .
Hf Hf8 0.39016(2) 0.32946(2) -0.04237(2) 0.01599(6) Uani d . . . 1 . .
Hf Hf11 0.26877(2) 0.43530(2) 0.25 0.01579(8) Uani d T P S 1 . .
Hf Hf9 0.36938(2) 0.41568(2) 0.00861(2) 0.01548(6) Uani d . . . 1 . .
Hf Hf7 0.29987(2) 0.22314(2) 0.00833(2) 0.01525(6) Uani d . . . 1 . .
O O2 0.2517(3) 0.3668(3) 0.25 0.0127(13) Uani d T P S 1 . .
O O11 0.36560(18) 0.41819(17) 0.1278(3) 0.0129(10) Uani d . . . 1 . .
O O1 0.2042(2) 0.2365(2) 0.25 0.0104(13) Uani d T P S 1 . .
O O37 0.12703(19) 0.18036(18) 0.3214(3) 0.0154(10) Uani d . . . 1 . .
O O8 0.31959(18) 0.31638(17) 0.3547(3) 0.0122(9) Uani d . . . 1 . .
S S1 0.14176(6) 0.21907(6) 0.36999(11) 0.0150(3) Uani d . . . 1 . .
S S6 0.15549(8) 0.36671(8) 0.25 0.0109(4) Uani d T P S 1 . .
O O32 0.23422(19) 0.3707(2) 0.1035(3) 0.0179(11) Uani d . . . 1 . .
O O12 0.3370(3) 0.4987(3) 0.25 0.0203(17) Uani d T P S 1 . .
O O5 0.3257(2) 0.3652(2) 0.25 0.0110(13) Uani d T P S 1 . .
O O4 0.2880(3) 0.2629(3) 0.25 0.0122(13) Uani d T P S 1 . .
O O14 0.2520(2) 0.15779(19) 0.0406(3) 0.0166(10) Uani d . . . 1 . .
O O3 0.24147(17) 0.30380(17) 0.3341(3) 0.0109(9) Uani d . . . 1 . .
O O6 0.21263(18) 0.18068(17) 0.3296(3) 0.0132(10) Uani d . . . 1 . .
O O38 0.1845(2) 0.2296(2) 0.4030(3) 0.0174(11) Uani d . . . 1 . .
S S8 0.43790(9) 0.39810(9) 0.25 0.0172(5) Uani d T P S 1 . .
S S7 0.39007(9) 0.26521(10) 0.25 0.0175(5) Uani d T P S 1 . .
O O16 0.3579(2) 0.28287(19) 0.0418(3) 0.0170(11) Uani d . . . 1 . .
O O9 0.1976(3) 0.1168(2) 0.25 0.0144(14) Uani d T P S 1 A .
O O18 0.3943(2) 0.3732(2) 0.0401(3) 0.0180(11) Uani d . . . 1 . .
O O48 0.4389(2) 0.4584(2) 0.0407(3) 0.0204(12) Uani d . . . 1 . .
O O21 0.3659(2) 0.4724(2) 0.0409(3) 0.0202(12) Uani d . . . 1 . .
O O36 0.14842(19) 0.25806(19) 0.3269(3) 0.0170(11) Uani d . . . 1 . .
O O39 0.1083(2) 0.2087(2) 0.4243(3) 0.0207(12) Uani d . . . 1 . .
O O13 0.2775(3) 0.1631(3) 0.25 0.0168(15) Uani d T P S 1 . .
O O45 0.3481(2) 0.2037(2) 0.0471(3) 0.0215(12) Uani d . . . 1 . .
O O22 0.3895(3) 0.4726(3) 0.25 0.0167(15) Uani d T P S 1 . .
O O7 0.30493(19) 0.43121(19) 0.3320(3) 0.0150(10) Uani d . . . 1 . .
O O57 0.1601(2) 0.3265(3) 0.25 0.0147(14) Uani d T P S 1 . .
S S4 0.46478(7) 0.50190(7) 0.07700(12) 0.0219(4) Uani d . . . 1 . .
S S3 0.33950(9) 0.15976(9) 0.07283(14) 0.0294(5) Uani d . . . 1 . .
O O15 0.2631(2) 0.25174(19) 0.0456(3) 0.0164(10) Uani d . . . 1 . .
O O44 0.3073(2) 0.1449(2) 0.1326(3) 0.0211(12) Uani d . . . 1 . .
O O25 0.2453(2) 0.2041(2) -0.0731(3) 0.0234(13) Uani d . . . 1 . .
O O20 0.30539(19) 0.36809(19) 0.0458(3) 0.0160(10) Uani d . . . 1 . .
O O49 0.4376(2) 0.5036(2) 0.1366(4) 0.0237(13) Uani d . . . 1 . .
O O51 0.4757(2) 0.5387(2) 0.0275(4) 0.0290(15) Uani d . . . 1 . .
O O17 0.3296(2) 0.2725(2) -0.0731(3) 0.0205(12) Uani d . . . 1 . .
O O24 0.3101(2) 0.1866(2) -0.0816(4) 0.0255(13) Uani d . . . 1 . .
O O31 0.3198(2) 0.4179(2) -0.0697(3) 0.0236(13) Uani d . . . 1 . .
O O28 0.3872(2) 0.3331(2) -0.1642(3) 0.0267(14) Uani d . . . 1 . .
O O29 0.4513(2) 0.3888(2) -0.0785(3) 0.0230(13) Uani d . . . 1 . .
O O56 0.1995(3) 0.4062(3) 0.25 0.027(2) Uani d T P S 1 . .
O O50 0.5046(2) 0.5042(3) 0.1072(4) 0.0275(14) Uani d . . . 1 . .
O O19 0.3563(2) 0.3639(2) -0.0669(3) 0.0227(12) Uani d . . . 1 . .
O O23 0.2308(2) 0.0757(2) 0.1607(4) 0.0254(13) Uani d . . . 1 . .
O O27 0.4196(2) 0.2914(2) -0.0859(4) 0.0246(13) Uani d . . . 1 . .
O O26 0.4452(2) 0.3356(2) 0.0325(4) 0.0263(14) Uani d . . . 1 . .
O O52 0.3276(2) 0.5122(2) 0.1078(4) 0.0247(13) Uani d . . . 1 . .
O O33 0.4079(2) 0.5567(2) 0.1571(4) 0.0273(14) Uani d . . . 1 . .
O O59 0.3750(3) 0.2823(3) 0.3112(4) 0.0322(17) Uani d . . . 1 . .
O O63 0.4782(3) 0.3962(3) 0.25 0.0259(19) Uani d T P S 1 . .
O O62 0.4083(2) 0.3727(3) 0.3111(4) 0.0337(18) Uani d . . . 1 . .
O O60 0.4378(3) 0.2835(4) 0.25 0.031(2) Uani d T P S 1 . .
O O47 0.3183(4) 0.1282(3) 0.0122(5) 0.051(3) Uani d . . . 1 . .
O O55 0.2702(3) 0.5288(3) 0.0810(6) 0.051(3) Uani d . . . 1 . .
O O54 0.2596(3) 0.4563(3) 0.0507(5) 0.049(2) Uani d . . . 1 . .
O O58 0.1321(3) 0.3662(2) 0.3141(4) 0.0319(17) Uani d . . . 1 . .
O O53 0.2585(2) 0.4767(2) 0.3257(5) 0.0336(17) Uani d . . . 1 . .
O O30 0.4076(2) 0.4558(3) -0.0840(4) 0.0306(15) Uani d . . . 1 . .
S S5 0.27872(9) 0.49324(9) 0.10166(18) 0.0365(6) Uani d . . . 1 . .
O O64 0.4475(4) 0.4434(4) 0.25 0.079(7) Uani d T P S 1 . .
O O46 0.3794(3) 0.1621(4) 0.0958(6) 0.061(3) Uani d . . . 1 . .
O O61 0.3666(4) 0.2177(4) 0.25 0.063(5) Uani d T P S 1 . .
S S10 0.50751(12) 0.63021(14) 0.25 0.0349(9) Uani d T P S 1 . .
O O68 0.5519(3) 0.6690(3) 0.25 0.0260(19) Uani d T P S 1 . .
O O70 0.4979(4) 0.6042(4) 0.3135(7) 0.089(5) Uani d . . . 1 . .
O O69 0.4756(7) 0.6474(8) 0.25 0.133(12) Uani d T P S 1 . .
O O10 0.29195(19) 0.21749(19) 0.1287(3) 0.0148(10) Uani d . . . 1 . .
Hf Hf12 0.18567(14) 0.05101(12) 0.25 0.0176(7) Uani d T P DS 0.12 . .
O O35 0.1342(15) -0.0196(6) 0.25 0.0176(7) Uani d T P DS 0.12 . .
S S2B 0.13307(19) 0.0912(2) 0.1050(4) 0.0179(10) Uani d U P . 0.4 A 1
O O42B 0.1279(7) 0.1169(8) 0.0485(10) 0.036(5) Uani d . P . 0.4 A 1
O O43B 0.1010(6) 0.0435(6) 0.0982(11) 0.026(2) Uani d U P . 0.4 A 1
S S2A 0.13081(14) 0.07678(15) 0.1302(3) 0.0259(8) Uani d . P . 0.6 A 2
O O42A 0.0995(5) 0.0598(6) 0.0742(9) 0.045(4) Uani d . P . 0.6 A 2
O O43A 0.1281(7) 0.0395(5) 0.1737(10) 0.058(5) Uani d . P . 0.6 A 2
S S11 0.35861(14) 0.42655(15) 0.75 0.0345(8) Uani d T P S 1 . .
O O73 0.3846(5) 0.4102(6) 0.7118(9) 0.035(3) Uani d . P . 0.5 . .
O O71 0.3287(6) 0.4349(7) 0.7055(9) 0.044(4) Uani d . P . 0.5 . .
O O74 0.3311(6) 0.3926(8) 0.6929(10) 0.054(5) Uani d . P . 0.5 . .
O O72 0.3918(6) 0.4689(6) 0.7130(8) 0.042(4) Uani d . P . 0.5 . .
O O34 0.2249(8) 0.0172(8) 0.25 0.0176(7) Uani d T P DS 0.12 A 1
S S9 0.28707(19) 0.01472(18) 0.25 0.084(3) Uani d TU P S 0.88 B 2
O O65 0.2779(5) 0.0505(5) 0.25 0.037(3) Uani d T P S 0.88 B 2
O O67 0.2477(6) -0.0243(6) 0.2993(9) 0.037(4) Uani d . P . 0.44 B 2
O O66 0.3212(4) 0.0290(4) 0.3176(13) 0.098(3) Uani d U P . 0.88 B 2
O O40 0.1243(2) 0.10521(19) 0.1785(4) 0.0216(12) Uani d . . . 1 . .
O O41 0.1775(2) 0.0991(2) 0.1035(4) 0.0249(13) Uani d . . . 1 . .
O O78 0.3634(4) 0.5986(4) 0.25 0.047(3) Uani d T P S 1 . .
N N2 0.2354(4) 0.3681(5) 0.75 0.035(3) Uani d T P S 1 . .
N N3 0.4690(6) 0.9905(6) 0.25 0.045(4) Uani d T P S 1 . .
N N4 0.1162(5) 0.0724(6) 0.9180(10) 0.048(5) Uani d . P . 0.66 . .
N N5 0.5018(4) 0.4121(3) 0.0983(5) 0.0163(19) Uani d . P . 0.66 . .
O O75 0.5059(3) 0.3229(3) 0.9137(6) 0.048(2) Uani d . . . 1 . .
O O76 0.1633(3) 0.1802(4) 0.9666(6) 0.064(3) Uani d . . . 1 . .
O O77 0.3013(3) 0.0482(3) 0.0501(5) 0.0353(17) Uani d . . . 1 . .
N N1 0.4483(5) 0.2583(5) 0.0570(11) 0.029(4) Uani d . P . 0.5 . .
O O79 0.1771(5) 0.9386(5) 0.2889(8) 0.037(4) Uani d . P . 0.5 . .
O O80 0.545(2) 0.3612(17) 0.25 0.11(2) Uani d T P S 0.5 . .
O O81 0.4607(10) 0.2134(10) 0.25 0.15(3) Uani d T P S 0.5 . .
O O82 0.5627(11) 0.4007(9) 0.0022(17) 0.085(9) Uani d . P . 0.5 . .
O O83 0.4464(14) 0.7021(10) 0.25 0.101(16) Uani d T P S 0.5 . .
O O84 0.3594(17) 0.5259(10) 0.9337(14) 0.143(19) Uani d . P . 0.5 . .
O O85 0.3827(12) 0.6218(9) 0.357(3) 0.16(2) Uani d . P . 0.5 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hf Hf -0.5830 6.1852 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O3 Hf2 O6 10_556 10_556 138.1(2)
O3 Hf2 O4 10_556 . 94.9(3)
O6 Hf2 O4 10_556 . 97.2(3)
O3 Hf2 O15 10_556 . 99.4(2)
O6 Hf2 O15 10_556 . 99.5(2)
O4 Hf2 O15 . . 135.3(2)
O3 Hf2 O1 10_556 . 72.7(2)
O6 Hf2 O1 10_556 . 72.9(2)
O4 Hf2 O1 . . 72.9(2)
O15 Hf2 O1 . . 151.8(2)
O3 Hf2 O10 10_556 . 151.6(2)
O6 Hf2 O10 10_556 . 70.3(2)
O4 Hf2 O10 . . 79.9(2)
O15 Hf2 O10 . . 67.6(2)
O1 Hf2 O10 . . 130.3(2)
O3 Hf2 O38 10_556 10_556 74.6(2)
O6 Hf2 O38 10_556 10_556 76.2(2)
O4 Hf2 O38 . 10_556 152.4(2)
O15 Hf2 O38 . 10_556 72.2(2)
O1 Hf2 O38 . 10_556 79.6(2)
O10 Hf2 O38 . 10_556 121.2(2)
O3 Hf2 O8 10_556 10_556 69.43(19)
O6 Hf2 O8 10_556 10_556 151.7(2)
O4 Hf2 O8 . 10_556 68.8(2)
O15 Hf2 O8 . 10_556 77.2(2)
O1 Hf2 O8 . 10_556 122.2(2)
O10 Hf2 O8 . 10_556 82.78(19)
O38 Hf2 O8 10_556 10_556 127.4(2)
O3 Hf2 Hf4 10_556 . 33.89(15)
O6 Hf2 Hf4 10_556 . 108.83(15)
O4 Hf2 Hf4 . . 82.63(19)
O15 Hf2 Hf4 . . 128.91(16)
O1 Hf2 Hf4 . . 38.86(18)
O10 Hf2 Hf4 . . 162.17(14)
O38 Hf2 Hf4 10_556 . 74.51(14)
O8 Hf2 Hf4 10_556 . 94.10(13)
O3 Hf2 Hf5 10_556 . 108.56(15)
O6 Hf2 Hf5 10_556 . 33.12(16)
O4 Hf2 Hf5 . . 86.64(19)
O15 Hf2 Hf5 . . 126.97(16)
O1 Hf2 Hf5 . . 39.86(18)
O10 Hf2 Hf5 . . 99.07(14)
O38 Hf2 Hf5 10_556 . 73.18(15)
O8 Hf2 Hf5 10_556 . 154.76(13)
Hf4 Hf2 Hf5 . . 76.408(11)
O3 Hf2 Hf2 10_556 10_556 85.43(14)
O6 Hf2 Hf2 10_556 10_556 83.11(16)
O4 Hf2 Hf2 . 10_556 33.56(17)
O15 Hf2 Hf2 . 10_556 168.77(16)
O1 Hf2 Hf2 . 10_556 39.41(14)
O10 Hf2 Hf2 . 10_556 103.45(14)
O38 Hf2 Hf2 10_556 10_556 118.97(15)
O8 Hf2 Hf2 10_556 10_556 95.28(13)
Hf4 Hf2 Hf2 . 10_556 59.215(7)
Hf5 Hf2 Hf2 . 10_556 59.695(6)
O3 Hf2 Hf1 10_556 . 81.19(14)
O6 Hf2 Hf1 10_556 . 125.55(15)
O4 Hf2 Hf1 . . 31.53(19)
O15 Hf2 Hf1 . . 110.14(16)
O1 Hf2 Hf1 . . 95.66(15)
O10 Hf2 Hf1 . . 80.12(14)
O38 Hf2 Hf1 10_556 . 155.66(14)
O8 Hf2 Hf1 10_556 . 37.29(13)
Hf4 Hf2 Hf1 . . 86.765(11)
Hf5 Hf2 Hf1 . . 117.886(11)
Hf2 Hf2 Hf1 10_556 . 60.357(6)
O4 Hf1 O5 . . 98.5(3)
O4 Hf1 O8 . 10_556 73.97(16)
O5 Hf1 O8 . 10_556 73.47(16)
O4 Hf1 O8 . . 73.97(16)
O5 Hf1 O8 . . 73.47(16)
O8 Hf1 O8 10_556 . 129.1(3)
O4 Hf1 O62 . 10_556 149.46(18)
O5 Hf1 O62 . 10_556 86.7(3)
O8 Hf1 O62 10_556 10_556 78.9(2)
O8 Hf1 O62 . 10_556 135.7(2)
O4 Hf1 O62 . . 149.46(18)
O5 Hf1 O62 . . 86.7(3)
O8 Hf1 O62 10_556 . 135.7(2)
O8 Hf1 O62 . . 78.9(2)
O62 Hf1 O62 10_556 . 60.4(3)
O4 Hf1 O59 . 10_556 86.8(3)
O5 Hf1 O59 . 10_556 149.43(18)
O8 Hf1 O59 10_556 10_556 79.3(2)
O8 Hf1 O59 . 10_556 136.3(2)
O62 Hf1 O59 10_556 10_556 74.5(3)
O62 Hf1 O59 . 10_556 103.8(3)
O4 Hf1 O59 . . 86.8(3)
O5 Hf1 O59 . . 149.44(18)
O8 Hf1 O59 10_556 . 136.3(2)
O8 Hf1 O59 . . 79.3(2)
O62 Hf1 O59 10_556 . 103.8(3)
O62 Hf1 O59 . . 74.5(3)
O59 Hf1 O59 10_556 . 60.4(3)
O4 Hf1 S8 . . 175.0(2)
O5 Hf1 S8 . . 86.4(2)
O8 Hf1 S8 10_556 . 107.67(14)
O8 Hf1 S8 . . 107.67(14)
O62 Hf1 S8 10_556 . 30.20(17)
O62 Hf1 S8 . . 30.20(17)
O59 Hf1 S8 10_556 . 88.9(2)
O59 Hf1 S8 . . 88.9(2)
O4 Hf1 S7 . . 87.6(2)
O5 Hf1 S7 . . 173.9(2)
O8 Hf1 S7 10_556 . 108.50(14)
O8 Hf1 S7 . . 108.50(14)
O62 Hf1 S7 10_556 . 88.0(2)
O62 Hf1 S7 . . 88.0(2)
O59 Hf1 S7 10_556 . 30.23(17)
O59 Hf1 S7 . . 30.23(17)
S8 Hf1 S7 . . 87.44(8)
O4 Hf1 Hf3 . 10_556 85.97(19)
O5 Hf1 Hf3 . 10_556 32.38(7)
O8 Hf1 Hf3 10_556 10_556 98.35(14)
O8 Hf1 Hf3 . 10_556 41.11(14)
O62 Hf1 Hf3 10_556 10_556 111.9(2)
O62 Hf1 Hf3 . 10_556 82.7(2)
O59 Hf1 Hf3 10_556 10_556 172.8(2)
O59 Hf1 Hf3 . 10_556 119.43(17)
S8 Hf1 Hf3 . 10_556 98.33(5)
S7 Hf1 Hf3 . 10_556 149.410(13)
O4 Hf1 Hf3 . . 85.97(19)
O5 Hf1 Hf3 . . 32.38(7)
O8 Hf1 Hf3 10_556 . 41.12(14)
O8 Hf1 Hf3 . . 98.35(14)
O62 Hf1 Hf3 10_556 . 82.7(2)
O62 Hf1 Hf3 . . 111.9(2)
O59 Hf1 Hf3 10_556 . 119.43(17)
O59 Hf1 Hf3 . . 172.8(2)
S8 Hf1 Hf3 . . 98.33(5)
S7 Hf1 Hf3 . . 149.411(13)
Hf3 Hf1 Hf3 10_556 . 59.683(13)
O3 Hf4 O3 . 10_556 101.2(3)
O3 Hf4 O57 . . 122.29(17)
O3 Hf4 O57 10_556 . 122.29(17)
O3 Hf4 O2 . . 75.69(19)
O3 Hf4 O2 10_556 . 75.69(19)
O57 Hf4 O2 . . 80.3(3)
O3 Hf4 O1 . . 75.28(19)
O3 Hf4 O1 10_556 . 75.28(19)
O57 Hf4 O1 . . 146.3(3)
O2 Hf4 O1 . . 133.4(3)
O3 Hf4 O36 . . 82.9(2)
O3 Hf4 O36 10_556 . 152.7(2)
O57 Hf4 O36 . . 74.8(2)
O2 Hf4 O36 . . 130.91(19)
O1 Hf4 O36 . . 79.8(2)
O3 Hf4 O36 . 10_556 152.7(2)
O3 Hf4 O36 10_556 10_556 82.9(2)
O57 Hf4 O36 . 10_556 74.8(2)
O2 Hf4 O36 . 10_556 130.91(19)
O1 Hf4 O36 . 10_556 79.8(2)
O36 Hf4 O36 . 10_556 81.8(3)
O3 Hf4 Hf3 . . 88.30(14)
O3 Hf4 Hf3 10_556 . 34.20(14)
O57 Hf4 Hf3 . . 106.52(17)
O2 Hf4 Hf3 . . 41.52(13)
O1 Hf4 Hf3 . . 102.27(16)
O36 Hf4 Hf3 . . 170.12(17)
O36 Hf4 Hf3 10_556 . 108.05(16)
O3 Hf4 Hf3 . 10_556 34.20(14)
O3 Hf4 Hf3 10_556 10_556 88.29(14)
O57 Hf4 Hf3 . 10_556 106.52(17)
O2 Hf4 Hf3 . 10_556 41.52(13)
O1 Hf4 Hf3 . 10_556 102.27(16)
O36 Hf4 Hf3 . 10_556 108.05(16)
O36 Hf4 Hf3 10_556 10_556 170.12(17)
Hf3 Hf4 Hf3 . 10_556 62.090(13)
O3 Hf4 Hf2 . . 88.20(15)
O3 Hf4 Hf2 10_556 . 34.65(15)
O57 Hf4 Hf2 . . 148.73(4)
O2 Hf4 Hf2 . . 103.26(18)
O1 Hf4 Hf2 . . 40.64(12)
O36 Hf4 Hf2 . . 119.82(15)
O36 Hf4 Hf2 10_556 . 80.04(15)
Hf3 Hf4 Hf2 . . 64.090(9)
Hf3 Hf4 Hf2 10_556 . 95.217(13)
O3 Hf4 Hf2 . 10_556 34.65(15)
O3 Hf4 Hf2 10_556 10_556 88.20(15)
O57 Hf4 Hf2 . 10_556 148.73(4)
O2 Hf4 Hf2 . 10_556 103.26(18)
O1 Hf4 Hf2 . 10_556 40.64(12)
O36 Hf4 Hf2 . 10_556 80.04(15)
O36 Hf4 Hf2 10_556 10_556 119.82(15)
Hf3 Hf4 Hf2 . 10_556 95.218(13)
Hf3 Hf4 Hf2 10_556 10_556 64.088(9)
Hf2 Hf4 Hf2 . 10_556 61.571(13)
O3 Hf3 O7 10_556 10_556 137.2(2)
O3 Hf3 O5 10_556 . 95.3(2)
O7 Hf3 O5 10_556 . 97.8(2)
O3 Hf3 O20 10_556 . 99.0(2)
O7 Hf3 O20 10_556 . 98.9(2)
O5 Hf3 O20 . . 136.4(2)
O3 Hf3 O2 10_556 . 72.8(2)
O7 Hf3 O2 10_556 . 72.6(2)
O5 Hf3 O2 . . 73.0(2)
O20 Hf3 O2 . . 150.6(2)
O3 Hf3 O11 10_556 . 153.2(2)
O7 Hf3 O11 10_556 . 69.4(2)
O5 Hf3 O11 . . 80.5(2)
O20 Hf3 O11 . . 68.4(2)
O2 Hf3 O11 . . 129.6(2)
O3 Hf3 O8 10_556 10_556 70.5(2)
O7 Hf3 O8 10_556 10_556 151.7(2)
O5 Hf3 O8 . 10_556 69.1(2)
O20 Hf3 O8 . 10_556 77.4(2)
O2 Hf3 O8 . 10_556 123.2(2)
O11 Hf3 O8 . 10_556 83.42(19)
O3 Hf3 O32 10_556 . 75.9(2)
O7 Hf3 O32 10_556 . 71.6(2)
O5 Hf3 O32 . . 148.1(2)
O20 Hf3 O32 . . 75.5(2)
O2 Hf3 O32 . . 75.1(2)
O11 Hf3 O32 . . 120.6(2)
O8 Hf3 O32 10_556 . 132.25(19)
O3 Hf3 Hf4 10_556 . 33.90(15)
O7 Hf3 Hf4 10_556 . 108.44(16)
O5 Hf3 Hf4 . . 82.62(18)
O20 Hf3 Hf4 . . 128.39(15)
O2 Hf3 Hf4 . . 38.89(19)
O11 Hf3 Hf4 . . 162.45(14)
O8 Hf3 Hf4 10_556 . 94.98(13)
O32 Hf3 Hf4 . . 73.12(15)
O3 Hf3 Hf11 10_556 . 107.82(15)
O7 Hf3 Hf11 10_556 . 33.98(16)
O5 Hf3 Hf11 . . 85.33(18)
O20 Hf3 Hf11 . . 127.65(16)
O2 Hf3 Hf11 . . 38.62(19)
O11 Hf3 Hf11 . . 98.29(14)
O8 Hf3 Hf11 10_556 . 153.85(13)
O32 Hf3 Hf11 . . 68.99(15)
Hf4 Hf3 Hf11 . . 75.563(11)
O3 Hf3 Hf3 10_556 10_556 85.16(14)
O7 Hf3 Hf3 10_556 10_556 84.10(16)
O5 Hf3 Hf3 . 10_556 33.15(17)
O20 Hf3 Hf3 . 10_556 169.51(16)
O2 Hf3 Hf3 . 10_556 39.90(15)
O11 Hf3 Hf3 . 10_556 103.68(14)
O8 Hf3 Hf3 10_556 10_556 95.16(13)
O32 Hf3 Hf3 . 10_556 114.95(15)
Hf4 Hf3 Hf3 . 10_556 58.956(7)
Hf11 Hf3 Hf3 . 10_556 58.964(7)
O3 Hf3 Hf1 10_556 . 81.64(15)
O7 Hf3 Hf1 10_556 . 126.39(16)
O5 Hf3 Hf1 . . 31.92(19)
O20 Hf3 Hf1 . . 110.72(17)
O2 Hf3 Hf1 . . 96.25(16)
O11 Hf3 Hf1 . . 81.14(14)
O8 Hf3 Hf1 10_556 . 37.25(13)
O32 Hf3 Hf1 . . 157.46(15)
Hf4 Hf3 Hf1 . . 87.030(11)
Hf11 Hf3 Hf1 . . 116.941(11)
Hf3 Hf3 Hf1 10_556 . 60.158(6)
O7 Hf10 O22 10_556 . 91.7(3)
O7 Hf10 O21 10_556 . 93.2(2)
O22 Hf10 O21 . . 142.7(3)
O7 Hf10 O33 10_556 . 144.3(3)
O22 Hf10 O33 . . 95.6(3)
O21 Hf10 O33 . . 101.6(3)
O7 Hf10 O49 10_556 . 144.0(2)
O22 Hf10 O49 . . 73.6(3)
O21 Hf10 O49 . . 81.0(2)
O33 Hf10 O49 . . 71.1(3)
O7 Hf10 O52 10_556 . 80.6(2)
O22 Hf10 O52 . . 141.4(3)
O21 Hf10 O52 . . 75.8(3)
O33 Hf10 O52 . . 72.0(3)
O49 Hf10 O52 . . 130.8(3)
O7 Hf10 O12 10_556 . 71.7(3)
O22 Hf10 O12 . . 66.5(3)
O21 Hf10 O12 . . 149.1(3)
O33 Hf10 O12 . . 79.3(3)
O49 Hf10 O12 . . 126.9(3)
O52 Hf10 O12 . . 75.2(3)
O7 Hf10 O11 10_556 . 69.3(2)
O22 Hf10 O11 . . 79.3(3)
O21 Hf10 O11 . . 68.1(2)
O33 Hf10 O11 . . 146.4(2)
O49 Hf10 O11 . . 75.7(2)
O52 Hf10 O11 . . 130.6(2)
O12 Hf10 O11 . . 126.3(2)
O7 Hf10 Hf11 10_556 . 31.19(16)
O22 Hf10 Hf11 . . 79.4(2)
O21 Hf10 Hf11 . . 119.93(17)
O33 Hf10 Hf11 . . 116.7(2)
O49 Hf10 Hf11 . . 152.65(18)
O52 Hf10 Hf11 . . 74.60(18)
O12 Hf10 Hf11 . . 40.5(2)
O11 Hf10 Hf11 . . 95.14(13)
O7 Hf10 Hf3 10_556 . 30.38(16)
O22 Hf10 Hf3 . . 83.4(2)
O21 Hf10 Hf3 . . 82.43(16)
O33 Hf10 Hf3 . . 174.2(2)
O49 Hf10 Hf3 . . 113.93(18)
O52 Hf10 Hf3 . . 105.28(17)
O12 Hf10 Hf3 . . 95.1(2)
O11 Hf10 Hf3 . . 39.01(13)
Hf11 Hf10 Hf3 . . 57.505(10)
O7 Hf10 Hf9 10_556 . 82.87(16)
O22 Hf10 Hf9 . . 113.1(2)
O21 Hf10 Hf9 . . 31.60(17)
O33 Hf10 Hf9 . . 125.1(2)
O49 Hf10 Hf9 . . 73.70(17)
O52 Hf10 Hf9 . . 103.45(19)
O12 Hf10 Hf9 . . 154.5(2)
O11 Hf10 Hf9 . . 36.67(13)
Hf11 Hf10 Hf9 . . 114.061(12)
Hf3 Hf10 Hf9 . . 60.277(9)
O6 Hf6 O13 10_556 . 93.3(3)
O6 Hf6 O14 10_556 . 95.3(2)
O13 Hf6 O14 . . 141.7(3)
O6 Hf6 O23 10_556 . 141.1(2)
O13 Hf6 O23 . . 92.5(3)
O14 Hf6 O23 . . 103.5(2)
O6 Hf6 O41 10_556 . 81.0(2)
O13 Hf6 O41 . . 143.4(3)
O14 Hf6 O41 . . 74.8(2)
O23 Hf6 O41 . . 71.8(3)
O6 Hf6 O44 10_556 . 147.0(2)
O13 Hf6 O44 . . 74.3(3)
O14 Hf6 O44 . . 78.4(2)
O23 Hf6 O44 . . 71.0(2)
O41 Hf6 O44 . . 126.8(2)
O6 Hf6 O9 10_556 . 70.5(2)
O13 Hf6 O9 . . 66.6(3)
O14 Hf6 O9 . . 150.7(2)
O23 Hf6 O9 . . 76.8(3)
O41 Hf6 O9 . . 77.6(2)
O44 Hf6 O9 . . 127.3(2)
O6 Hf6 O10 10_556 . 70.8(2)
O13 Hf6 O10 . . 80.3(3)
O14 Hf6 O10 . . 67.7(2)
O23 Hf6 O10 . . 147.9(2)
O41 Hf6 O10 . . 129.8(2)
O44 Hf6 O10 . . 76.9(2)
O9 Hf6 O10 . . 126.5(2)
O6 Hf6 Hf12 10_556 . 105.52(17)
O13 Hf6 Hf12 . . 78.4(2)
O14 Hf6 Hf12 . . 133.96(15)
O23 Hf6 Hf12 . . 38.84(19)
O41 Hf6 Hf12 . . 68.7(2)
O44 Hf6 Hf12 . . 101.71(18)
O9 Hf6 Hf12 . . 38.01(19)
O10 Hf6 Hf12 . . 158.07(15)
O6 Hf6 Hf2 10_556 . 31.42(15)
O13 Hf6 Hf2 . . 85.7(2)
O14 Hf6 Hf2 . . 82.64(15)
O23 Hf6 Hf2 . . 171.87(18)
O41 Hf6 Hf2 . . 105.19(19)
O44 Hf6 Hf2 . . 115.89(17)
O9 Hf6 Hf2 . . 95.24(19)
O10 Hf6 Hf2 . . 39.44(14)
Hf12 Hf6 Hf2 . . 133.12(6)
O6 Hf6 Hf5 10_556 . 30.32(15)
O13 Hf6 Hf5 . . 82.0(2)
O14 Hf6 Hf5 . . 120.79(16)
O23 Hf6 Hf5 . . 113.44(18)
O41 Hf6 Hf5 . . 74.96(17)
O44 Hf6 Hf5 . . 156.13(17)
O9 Hf6 Hf5 . . 40.31(19)
O10 Hf6 Hf5 . . 96.59(14)
Hf12 Hf6 Hf5 . . 75.69(7)
Hf2 Hf6 Hf5 . . 58.477(9)
O6 Hf5 O6 10_556 . 93.3(3)
O6 Hf5 O37 10_556 10_556 88.3(2)
O6 Hf5 O37 . 10_556 147.8(2)
O6 Hf5 O37 10_556 . 147.8(2)
O6 Hf5 O37 . . 88.3(2)
O37 Hf5 O37 10_556 . 74.1(3)
O6 Hf5 O40 10_556 10_556 141.5(2)
O6 Hf5 O40 . 10_556 84.7(2)
O37 Hf5 O40 10_556 10_556 113.2(2)
O37 Hf5 O40 . 10_556 70.6(2)
O6 Hf5 O40 10_556 . 84.7(2)
O6 Hf5 O40 . . 141.5(2)
O37 Hf5 O40 10_556 . 70.6(2)
O37 Hf5 O40 . . 113.2(2)
O40 Hf5 O40 10_556 . 74.1(4)
O6 Hf5 O1 10_556 . 73.60(19)
O6 Hf5 O1 . . 73.60(19)
O37 Hf5 O1 10_556 . 76.1(2)
O37 Hf5 O1 . . 76.1(2)
O40 Hf5 O1 10_556 . 140.53(19)
O40 Hf5 O1 . . 140.53(19)
O6 Hf5 O9 10_556 . 69.62(19)
O6 Hf5 O9 . . 69.61(19)
O37 Hf5 O9 10_556 . 139.49(17)
O37 Hf5 O9 . . 139.49(17)
O40 Hf5 O9 10_556 . 73.8(2)
O40 Hf5 O9 . . 73.8(2)
O1 Hf5 O9 . . 125.2(3)
O6 Hf5 Hf2 10_556 . 33.65(14)
O6 Hf5 Hf2 . . 84.33(15)
O37 Hf5 Hf2 10_556 . 79.31(15)
O37 Hf5 Hf2 . . 115.01(14)
O40 Hf5 Hf2 10_556 . 167.44(17)
O40 Hf5 Hf2 . . 111.59(18)
O1 Hf5 Hf2 . . 40.01(12)
O9 Hf5 Hf2 . . 96.69(17)
O6 Hf5 Hf2 10_556 10_556 84.33(15)
O6 Hf5 Hf2 . 10_556 33.65(14)
O37 Hf5 Hf2 10_556 10_556 115.01(14)
O37 Hf5 Hf2 . 10_556 79.31(15)
O40 Hf5 Hf2 10_556 10_556 111.59(18)
O40 Hf5 Hf2 . 10_556 167.44(17)
O1 Hf5 Hf2 . 10_556 40.01(12)
O9 Hf5 Hf2 . 10_556 96.69(17)
Hf2 Hf5 Hf2 . 10_556 60.612(13)
O6 Hf5 Hf6 10_556 10_556 83.55(16)
O6 Hf5 Hf6 . 10_556 30.12(15)
O37 Hf5 Hf6 10_556 10_556 171.07(15)
O37 Hf5 Hf6 . 10_556 111.35(16)
O40 Hf5 Hf6 10_556 10_556 75.58(17)
O40 Hf5 Hf6 . 10_556 112.00(17)
O1 Hf5 Hf6 . 10_556 98.07(16)
O9 Hf5 Hf6 . 10_556 39.61(11)
Hf2 Hf5 Hf6 . 10_556 91.863(13)
Hf2 Hf5 Hf6 10_556 10_556 60.668(9)
O6 Hf5 Hf6 10_556 . 30.13(15)
O6 Hf5 Hf6 . . 83.55(16)
O37 Hf5 Hf6 10_556 . 111.35(16)
O37 Hf5 Hf6 . . 171.07(15)
O40 Hf5 Hf6 10_556 . 112.00(17)
O40 Hf5 Hf6 . . 75.58(17)
O1 Hf5 Hf6 . . 98.07(16)
O9 Hf5 Hf6 . . 39.61(11)
Hf2 Hf5 Hf6 . . 60.668(9)
Hf2 Hf5 Hf6 10_556 . 91.861(13)
Hf6 Hf5 Hf6 10_556 . 62.340(14)
O19 Hf8 O18 . . 66.9(2)
O19 Hf8 O17 . . 84.1(3)
O18 Hf8 O17 . . 123.1(2)
O19 Hf8 O16 . . 111.2(2)
O18 Hf8 O16 . . 80.1(2)
O17 Hf8 O16 . . 65.9(2)
O19 Hf8 O27 . . 145.4(3)
O18 Hf8 O27 . . 144.8(2)
O17 Hf8 O27 . . 83.2(3)
O16 Hf8 O27 . . 92.5(2)
O19 Hf8 O29 . . 87.2(3)
O18 Hf8 O29 . . 82.2(2)
O17 Hf8 O29 . . 146.4(2)
O16 Hf8 O29 . . 146.5(2)
O27 Hf8 O29 . . 85.9(3)
O19 Hf8 O28 . . 72.4(3)
O18 Hf8 O28 . . 132.4(3)
O17 Hf8 O28 . . 74.4(2)
O16 Hf8 O28 . . 139.2(2)
O27 Hf8 O28 . . 73.2(3)
O29 Hf8 O28 . . 72.0(2)
O19 Hf8 O26 . . 139.2(2)
O18 Hf8 O26 . . 74.5(2)
O17 Hf8 O26 . . 130.1(3)
O16 Hf8 O26 . . 73.6(2)
O27 Hf8 O26 . . 70.4(2)
O29 Hf8 O26 . . 74.4(3)
O28 Hf8 O26 . . 131.4(3)
O19 Hf8 Hf9 . . 33.96(17)
O18 Hf8 Hf9 . . 33.68(17)
O17 Hf8 Hf9 . . 109.57(18)
O16 Hf8 Hf9 . . 101.01(16)
O27 Hf8 Hf9 . . 164.30(18)
O29 Hf8 Hf9 . . 78.41(18)
O28 Hf8 Hf9 . . 100.78(19)
O26 Hf8 Hf9 . . 105.63(18)
O19 Hf8 Hf7 . . 101.20(17)
O18 Hf8 Hf7 . . 104.93(16)
O17 Hf8 Hf7 . . 32.93(17)
O16 Hf8 Hf7 . . 33.17(15)
O27 Hf8 Hf7 . . 84.75(18)
O29 Hf8 Hf7 . . 170.59(18)
O28 Hf8 Hf7 . . 106.32(17)
O26 Hf8 Hf7 . . 101.22(19)
Hf9 Hf8 Hf7 . . 110.939(11)
O7 Hf11 O7 . 10_556 98.0(3)
O7 Hf11 O56 . . 124.61(19)
O7 Hf11 O56 10_556 . 124.61(19)
O7 Hf11 O2 . . 76.1(2)
O7 Hf11 O2 10_556 . 76.1(2)
O56 Hf11 O2 . . 81.4(3)
O7 Hf11 O53 . . 82.3(3)
O7 Hf11 O53 10_556 . 148.3(3)
O56 Hf11 O53 . . 77.9(3)
O2 Hf11 O53 . . 133.5(2)
O7 Hf11 O53 . 10_556 148.3(3)
O7 Hf11 O53 10_556 10_556 82.3(3)
O56 Hf11 O53 . 10_556 77.9(3)
O2 Hf11 O53 . 10_556 133.5(2)
O53 Hf11 O53 . 10_556 81.4(5)
O7 Hf11 O12 . . 71.9(2)
O7 Hf11 O12 10_556 . 71.9(2)
O56 Hf11 O12 . . 148.4(3)
O2 Hf11 O12 . . 130.2(3)
O53 Hf11 O12 . . 78.3(3)
O53 Hf11 O12 10_556 . 78.3(3)
O7 Hf11 Hf3 . . 87.45(15)
O7 Hf11 Hf3 10_556 . 34.65(16)
O56 Hf11 Hf3 . . 107.4(2)
O2 Hf11 Hf3 . . 41.45(13)
O53 Hf11 Hf3 . . 169.7(2)
O53 Hf11 Hf3 10_556 . 108.1(2)
O12 Hf11 Hf3 . . 99.61(18)
O7 Hf11 Hf3 . 10_556 34.65(16)
O7 Hf11 Hf3 10_556 10_556 87.45(15)
O56 Hf11 Hf3 . 10_556 107.4(2)
O2 Hf11 Hf3 . 10_556 41.45(13)
O53 Hf11 Hf3 . 10_556 108.1(2)
O53 Hf11 Hf3 10_556 10_556 169.7(2)
O12 Hf11 Hf3 . 10_556 99.61(18)
Hf3 Hf11 Hf3 . 10_556 62.074(13)
O7 Hf11 Hf10 . 10_556 31.41(16)
O7 Hf11 Hf10 10_556 10_556 86.45(16)
O56 Hf11 Hf10 . 10_556 148.02(3)
O2 Hf11 Hf10 . 10_556 101.49(17)
O53 Hf11 Hf10 . 10_556 77.4(2)
O53 Hf11 Hf10 10_556 10_556 117.8(2)
O12 Hf11 Hf10 . 10_556 40.48(13)
Hf3 Hf11 Hf10 . 10_556 94.354(14)
Hf3 Hf11 Hf10 10_556 10_556 62.294(10)
O7 Hf11 Hf10 . . 86.45(16)
O7 Hf11 Hf10 10_556 . 31.41(16)
O56 Hf11 Hf10 . . 148.02(3)
O2 Hf11 Hf10 . . 101.49(17)
O53 Hf11 Hf10 . . 117.8(2)
O53 Hf11 Hf10 10_556 . 77.4(2)
O12 Hf11 Hf10 . . 40.48(13)
Hf3 Hf11 Hf10 . . 62.294(10)
Hf3 Hf11 Hf10 10_556 . 94.351(14)
Hf10 Hf11 Hf10 10_556 . 63.264(14)
O20 Hf9 O21 . . 96.1(2)
O20 Hf9 O18 . . 90.0(2)
O21 Hf9 O18 . . 142.7(2)
O20 Hf9 O19 . . 82.1(2)
O21 Hf9 O19 . . 151.4(2)
O18 Hf9 O19 . . 65.8(2)
O20 Hf9 O48 . . 144.0(2)
O21 Hf9 O48 . . 81.3(2)
O18 Hf9 O48 . . 72.7(2)
O19 Hf9 O48 . . 116.5(2)
O20 Hf9 O30 . . 144.8(3)
O21 Hf9 O30 . . 86.1(3)
O18 Hf9 O30 . . 109.3(3)
O19 Hf9 O30 . . 79.7(3)
O48 Hf9 O30 . . 71.1(3)
O20 Hf9 O11 . . 69.1(2)
O21 Hf9 O11 . . 69.4(2)
O18 Hf9 O11 . . 78.7(2)
O19 Hf9 O11 . . 134.0(2)
O48 Hf9 O11 . . 76.5(2)
O30 Hf9 O11 . . 141.9(2)
O20 Hf9 O31 . . 73.9(2)
O21 Hf9 O31 . . 76.0(2)
O18 Hf9 O31 . . 140.5(2)
O19 Hf9 O31 . . 76.2(3)
O48 Hf9 O31 . . 138.0(2)
O30 Hf9 O31 . . 72.6(3)
O11 Hf9 O31 . . 125.2(2)
O20 Hf9 Hf8 . . 90.37(16)
O21 Hf9 Hf8 . . 172.66(17)
O18 Hf9 Hf8 . . 33.39(15)
O19 Hf9 Hf8 . . 33.16(18)
O48 Hf9 Hf8 . . 91.42(17)
O30 Hf9 Hf8 . . 90.6(2)
O11 Hf9 Hf8 . . 109.98(14)
O31 Hf9 Hf8 . . 109.32(18)
O20 Hf9 Hf3 . . 31.55(15)
O21 Hf9 Hf3 . . 81.25(16)
O18 Hf9 Hf3 . . 85.25(16)
O19 Hf9 Hf3 . . 108.37(17)
O48 Hf9 Hf3 . . 113.81(16)
O30 Hf9 Hf3 . . 165.4(2)
O11 Hf9 Hf3 . . 37.66(14)
O31 Hf9 Hf3 . . 97.12(16)
Hf8 Hf9 Hf3 . . 102.756(11)
O20 Hf9 Hf10 . . 84.90(16)
O21 Hf9 Hf10 . . 31.54(16)
O18 Hf9 Hf10 . . 113.49(15)
O19 Hf9 Hf10 . . 166.97(17)
O48 Hf9 Hf10 . . 74.25(16)
O30 Hf9 Hf10 . . 111.8(2)
O11 Hf9 Hf10 . . 38.03(14)
O31 Hf9 Hf10 . . 100.99(18)
Hf8 Hf9 Hf10 . . 146.688(12)
Hf3 Hf9 Hf10 . . 59.038(9)
O15 Hf7 O14 . . 94.3(2)
O15 Hf7 O17 . . 91.2(2)
O14 Hf7 O17 . . 150.2(2)
O15 Hf7 O16 . . 86.8(2)
O14 Hf7 O16 . . 143.9(2)
O17 Hf7 O16 . . 65.6(2)
O15 Hf7 O45 . . 140.3(2)
O14 Hf7 O45 . . 83.6(2)
O17 Hf7 O45 . . 110.0(2)
O16 Hf7 O45 . . 73.2(2)
O15 Hf7 O24 . . 145.8(2)
O14 Hf7 O24 . . 82.5(2)
O17 Hf7 O24 . . 76.7(2)
O16 Hf7 O24 . . 115.5(2)
O45 Hf7 O24 . . 73.5(3)
O15 Hf7 O25 . . 75.0(2)
O14 Hf7 O25 . . 77.5(2)
O17 Hf7 O25 . . 75.7(2)
O16 Hf7 O25 . . 136.7(2)
O45 Hf7 O25 . . 141.5(2)
O24 Hf7 O25 . . 71.0(3)
O15 Hf7 O10 . . 68.5(2)
O14 Hf7 O10 . . 68.2(2)
O17 Hf7 O10 . . 140.2(2)
O16 Hf7 O10 . . 78.9(2)
O45 Hf7 O10 . . 74.1(2)
O24 Hf7 O10 . . 138.1(2)
O25 Hf7 O10 . . 126.7(2)
O15 Hf7 Hf8 . . 91.49(16)
O14 Hf7 Hf8 . . 173.22(16)
O17 Hf7 Hf8 . . 32.75(16)
O16 Hf7 Hf8 . . 33.02(15)
O45 Hf7 Hf8 . . 89.74(17)
O24 Hf7 Hf8 . . 94.64(17)
O25 Hf7 Hf8 . . 107.38(16)
O10 Hf7 Hf8 . . 111.02(14)
Hf11 O2 Hf4 . . 149.4(4)
Hf11 O2 Hf3 . . 99.9(2)
Hf4 O2 Hf3 . . 99.6(2)
Hf11 O2 Hf3 . 10_556 99.9(2)
Hf4 O2 Hf3 . 10_556 99.6(2)
Hf3 O2 Hf3 . 10_556 100.2(3)
Hf9 O11 Hf3 . . 105.5(2)
Hf9 O11 Hf10 . . 105.3(2)
Hf3 O11 Hf10 . . 101.5(2)
Hf4 O1 Hf5 . . 147.2(4)
Hf4 O1 Hf2 . . 100.5(2)
Hf5 O1 Hf2 . . 100.1(2)
Hf4 O1 Hf2 . 10_556 100.5(2)
Hf5 O1 Hf2 . 10_556 100.1(2)
Hf2 O1 Hf2 . 10_556 101.2(3)
S1 O37 Hf5 . . 130.2(3)
Hf1 O8 Hf3 . 10_556 101.6(2)
Hf1 O8 Hf2 . 10_556 100.9(2)
Hf3 O8 Hf2 10_556 10_556 98.7(2)
O39 S1 O38 . . 110.6(4)
O39 S1 O37 . . 109.4(4)
O38 S1 O37 . . 109.2(3)
O39 S1 O36 . . 110.3(4)
O38 S1 O36 . . 108.7(3)
O37 S1 O36 . . 108.6(4)
O58 S6 O58 . 10_556 112.2(7)
O58 S6 O56 . . 109.4(4)
O58 S6 O56 10_556 . 109.4(4)
O58 S6 O57 . . 108.2(3)
O58 S6 O57 10_556 . 108.2(3)
O56 S6 O57 . . 109.3(5)
Hf10 O12 Hf10 10_556 . 105.9(4)
Hf10 O12 Hf11 10_556 . 99.0(2)
Hf10 O12 Hf11 . . 99.0(2)
Hf1 O5 Hf3 . 10_556 115.7(2)
Hf1 O5 Hf3 . . 115.7(2)
Hf3 O5 Hf3 10_556 . 113.7(3)
Hf1 O4 Hf2 . . 116.3(2)
Hf1 O4 Hf2 . 10_556 116.3(2)
Hf2 O4 Hf2 . 10_556 112.9(3)
Hf7 O14 Hf6 . . 117.7(3)
Hf4 O3 Hf3 . 10_556 111.9(2)
Hf4 O3 Hf2 . 10_556 111.5(2)
Hf3 O3 Hf2 10_556 10_556 121.4(3)
Hf6 O6 Hf5 10_556 . 119.6(3)
Hf6 O6 Hf2 10_556 10_556 117.8(3)
Hf5 O6 Hf2 . 10_556 113.2(3)
S1 O38 Hf2 . 10_556 126.2(3)
O64 S8 O63 . . 110.8(7)
O64 S8 O62 . 10_556 111.1(5)
O63 S8 O62 . 10_556 111.8(4)
O64 S8 O62 . . 111.1(5)
O63 S8 O62 . . 111.8(4)
O62 S8 O62 10_556 . 99.7(5)
O64 S8 Hf1 . . 124.4(5)
O63 S8 Hf1 . . 124.8(4)
O62 S8 Hf1 10_556 . 49.8(3)
O62 S8 Hf1 . . 49.8(3)
O61 S7 O60 . . 111.8(6)
O61 S7 O59 . . 110.3(4)
O60 S7 O59 . . 112.2(4)
O61 S7 O59 . 10_556 110.3(4)
O60 S7 O59 . 10_556 112.2(4)
O59 S7 O59 . 10_556 99.4(5)
O61 S7 Hf1 . . 125.0(5)
O60 S7 Hf1 . . 123.1(4)
O59 S7 Hf1 . . 49.8(3)
O59 S7 Hf1 10_556 . 49.8(3)
Hf8 O16 Hf7 . . 113.8(2)
Hf12 O9 Hf6 . 10_556 100.1(2)
Hf12 O9 Hf6 . . 100.1(2)
Hf6 O9 Hf6 10_556 . 106.1(3)
Hf12 O9 Hf5 . . 146.1(4)
Hf6 O9 Hf5 10_556 . 100.1(2)
Hf6 O9 Hf5 . . 100.1(2)
Hf8 O18 Hf9 . . 112.9(3)
S4 O48 Hf9 . . 135.8(4)
Hf10 O21 Hf9 . . 116.9(3)
S1 O36 Hf4 . . 128.3(3)
Hf6 O13 Hf6 . 10_556 120.6(4)
S3 O45 Hf7 . . 128.8(4)
Hf10 O22 Hf10 . 10_556 121.2(4)
Hf11 O7 Hf10 . 10_556 117.4(3)
Hf11 O7 Hf3 . 10_556 111.4(3)
Hf10 O7 Hf3 10_556 10_556 119.6(3)
S6 O57 Hf4 . . 149.5(5)
O50 S4 O51 . . 111.9(4)
O50 S4 O49 . . 108.2(4)
O51 S4 O49 . . 109.4(4)
O50 S4 O48 . . 107.9(4)
O51 S4 O48 . . 111.2(4)
O49 S4 O48 . . 108.2(4)
O46 S3 O44 . . 109.9(5)
O46 S3 O45 . . 110.7(5)
O44 S3 O45 . . 109.4(4)
O46 S3 O47 . . 112.4(7)
O44 S3 O47 . . 108.0(5)
O45 S3 O47 . . 106.4(5)
Hf7 O15 Hf2 . . 118.3(3)
S3 O44 Hf6 . . 134.4(4)
Hf3 O20 Hf9 . . 116.8(3)
S4 O49 Hf10 . . 135.9(4)
Hf8 O17 Hf7 . . 114.3(3)
S6 O56 Hf11 . . 150.2(6)
Hf8 O19 Hf9 . . 112.9(3)
Hf12 O23 Hf6 . . 101.1(3)
S5 O52 Hf10 . . 131.2(4)
S7 O59 Hf1 . . 100.0(3)
S8 O62 Hf1 . . 99.9(3)
S5 O53 Hf11 10_556 . 130.0(4)
O55 S5 O54 . . 112.0(6)
O55 S5 O52 . . 108.3(4)
O54 S5 O52 . . 110.9(5)
O55 S5 O53 . 10_556 108.0(6)
O54 S5 O53 . 10_556 109.4(5)
O52 S5 O53 . 10_556 108.1(4)
O70 S10 O70 10_556 . 112.6(13)
O70 S10 O68 10_556 . 113.0(5)
O70 S10 O68 . . 113.0(5)
O70 S10 O69 10_556 . 105.5(8)
O70 S10 O69 . . 105.5(8)
O68 S10 O69 . . 106.4(10)
Hf7 O10 Hf2 . . 105.6(2)
Hf7 O10 Hf6 . . 106.2(2)
Hf2 O10 Hf6 . . 101.0(2)
O9 Hf12 O23 . 10_556 81.9(2)
O9 Hf12 O23 . . 81.9(2)
O23 Hf12 O23 10_556 . 101.8(4)
O9 Hf12 O35 . . 145.0(17)
O23 Hf12 O35 10_556 . 117.9(8)
O23 Hf12 O35 . . 117.9(8)
O9 Hf12 O34 . . 137.7(8)
O23 Hf12 O34 10_556 . 72.0(5)
O23 Hf12 O34 . . 72.0(5)
O35 Hf12 O34 . . 77.3(18)
O9 Hf12 O43A . . 82.7(4)
O23 Hf12 O43A 10_556 . 159.6(5)
O23 Hf12 O43A . . 89.1(5)
O35 Hf12 O43A . . 70.0(13)
O9 Hf12 O43A . 10_556 82.7(4)
O23 Hf12 O43A 10_556 10_556 89.1(5)
O23 Hf12 O43A . 10_556 159.6(5)
O35 Hf12 O43A . 10_556 70.0(13)
O43A Hf12 O43A . 10_556 75.8(9)
O9 Hf12 Hf6 . 10_556 41.86(14)
O23 Hf12 Hf6 10_556 10_556 40.09(18)
O23 Hf12 Hf6 . 10_556 94.3(2)
O35 Hf12 Hf6 . 10_556 146.5(3)
O34 Hf12 Hf6 . 10_556 106.8(6)
O43A Hf12 Hf6 . 10_556 122.8(4)
O43A Hf12 Hf6 10_556 10_556 82.9(4)
O9 Hf12 Hf6 . . 41.86(14)
O23 Hf12 Hf6 10_556 . 94.3(2)
O23 Hf12 Hf6 . . 40.09(18)
O35 Hf12 Hf6 . . 146.5(3)
O34 Hf12 Hf6 . . 106.8(6)
O43A Hf12 Hf6 . . 82.9(4)
O43A Hf12 Hf6 10_556 . 122.8(4)
Hf6 Hf12 Hf6 10_556 . 65.62(7)
O41 S2B O42B . . 108.9(10)
O41 S2B O43B . . 110.7(9)
O42B S2B O43B . . 111.9(13)
O41 S2B O40 . . 108.8(5)
O42B S2B O40 . . 110.4(9)
O43B S2B O40 . . 106.0(10)
O42A S2A O40 . . 113.5(9)
O42A S2A O43A . . 110.0(11)
O40 S2A O43A . . 106.9(8)
O42A S2A O41 . . 112.3(8)
O40 S2A O41 . . 111.0(4)
O43A S2A O41 . . 102.3(9)
S2A O43A Hf12 . . 120.7(10)
O71 S11 O71 10_557 . 69.0(13)
O71 S11 O73 10_557 . 169.5(11)
O71 S11 O73 . . 115.6(9)
O71 S11 O73 10_557 10_557 115.6(9)
O71 S11 O73 . 10_557 169.5(11)
O73 S11 O73 . 10_557 58.2(13)
O71 S11 O72 10_557 . 109.8(11)
O71 S11 O72 . . 79.5(11)
O73 S11 O72 . . 80.6(10)
O73 S11 O72 10_557 . 106.5(10)
O71 S11 O72 10_557 10_557 79.5(11)
O71 S11 O72 . 10_557 109.8(11)
O73 S11 O72 . 10_557 106.5(10)
O73 S11 O72 10_557 10_557 80.6(10)
O72 S11 O72 . 10_557 54.6(12)
O71 S11 O74 10_557 10_557 61.6(11)
O71 S11 O74 . 10_557 108.6(11)
O73 S11 O74 . 10_557 108.0(11)
O73 S11 O74 10_557 10_557 68.1(10)
O72 S11 O74 . 10_557 162.8(10)
O72 S11 O74 10_557 10_557 108.2(10)
O71 S11 O74 10_557 . 108.6(11)
O71 S11 O74 . . 61.6(11)
O73 S11 O74 . . 68.1(10)
O73 S11 O74 10_557 . 108.0(11)
O72 S11 O74 . . 108.2(10)
O72 S11 O74 10_557 . 162.8(10)
O74 S11 O74 10_557 . 89.0(16)
O73 O73 S11 10_557 . 60.9(6)
O73 O73 O74 10_557 . 102.2(9)
S11 O73 O74 . . 57.5(10)
S11 O71 O74 . . 60.9(10)
S11 O71 O71 . 10_557 55.5(7)
O74 O71 O71 . 10_557 98.8(10)
S11 O74 O71 . . 57.5(11)
S11 O74 O73 . . 54.4(8)
O71 O74 O73 . . 101.5(15)
O72 O72 S11 10_557 . 62.7(6)
O65 S9 O66 . . 100.4(7)
O65 S9 O66 . 10_556 100.4(7)
O66 S9 O66 . 10_556 101.6(13)
O65 S9 O67 . . 105.2(9)
O66 S9 O67 . . 89.7(9)
O66 S9 O67 10_556 . 149.7(9)
O65 S9 O67 . 10_556 105.2(9)
O66 S9 O67 . 10_556 149.6(9)
O66 S9 O67 10_556 10_556 89.7(9)
O67 S9 O67 . 10_556 68.2(12)
S2A O40 Hf5 . . 136.9(4)
S2B O40 Hf5 . . 132.3(4)
S2B O41 Hf6 . . 139.2(5)
S2A O41 Hf6 . . 134.0(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Hf2 O3 10_556 2.075(5)
Hf2 O6 10_556 2.078(5)
Hf2 O4 . 2.087(4)
Hf2 O15 . 2.126(6)
Hf2 O1 . 2.250(5)
Hf2 O10 . 2.280(6)
Hf2 O38 10_556 2.321(6)
Hf2 O8 10_556 2.388(5)
Hf2 Hf4 . 3.3970(5)
Hf2 Hf5 . 3.4456(5)
Hf2 Hf2 10_556 3.4774(6)
Hf2 Hf1 . 3.5154(5)
Hf1 O4 . 2.051(8)
Hf1 O5 . 2.059(8)
Hf1 O8 10_556 2.169(5)
Hf1 O8 . 2.169(5)
Hf1 O62 10_556 2.273(7)
Hf1 O62 . 2.273(7)
Hf1 O59 10_556 2.275(7)
Hf1 O59 . 2.275(7)
Hf1 S8 . 2.929(3)
Hf1 S7 . 2.935(3)
Hf1 Hf3 10_556 3.5093(5)
Hf1 Hf3 . 3.5094(5)
Hf4 O3 . 2.035(5)
Hf4 O3 10_556 2.035(5)
Hf4 O57 . 2.134(7)
Hf4 O2 . 2.156(8)
Hf4 O1 . 2.168(7)
Hf4 O36 . 2.198(6)
Hf4 O36 10_556 2.198(6)
Hf4 Hf3 . 3.3861(5)
Hf4 Hf3 10_556 3.3862(5)
Hf4 Hf2 10_556 3.3970(5)
Hf3 O3 10_556 2.051(5)
Hf3 O7 10_556 2.068(6)
Hf3 O5 . 2.086(4)
Hf3 O20 . 2.110(6)
Hf3 O2 . 2.276(5)
Hf3 O11 . 2.283(5)
Hf3 O8 10_556 2.356(5)
Hf3 O32 . 2.358(6)
Hf3 Hf11 . 3.3869(5)
Hf3 Hf3 10_556 3.4925(6)
Hf10 O7 10_556 2.046(6)
Hf10 O22 . 2.098(4)
Hf10 O21 . 2.120(6)
Hf10 O33 . 2.193(6)
Hf10 O49 . 2.205(6)
Hf10 O52 . 2.214(6)
Hf10 O12 . 2.290(5)
Hf10 O11 . 2.309(5)
Hf10 Hf11 . 3.4845(5)
Hf10 Hf9 . 3.6150(5)
Hf6 O6 10_556 2.037(5)
Hf6 O13 . 2.104(4)
Hf6 O14 . 2.130(6)
Hf6 O23 . 2.213(7)
Hf6 O41 . 2.214(6)
Hf6 O44 . 2.258(6)
Hf6 O9 . 2.286(5)
Hf6 O10 . 2.287(6)
Hf6 Hf12 . 3.372(3)
Hf6 Hf5 . 3.5303(5)
Hf5 O6 10_556 2.049(6)
Hf5 O6 . 2.049(6)
Hf5 O37 10_556 2.218(6)
Hf5 O37 . 2.218(6)
Hf5 O40 10_556 2.221(6)
Hf5 O40 . 2.221(6)
Hf5 O1 . 2.243(7)
Hf5 O9 . 2.320(8)
Hf5 Hf2 10_556 3.4456(5)
Hf5 Hf6 10_556 3.5302(5)
Hf8 O19 . 2.106(7)
Hf8 O18 . 2.119(6)
Hf8 O17 . 2.125(6)
Hf8 O16 . 2.132(6)
Hf8 O27 . 2.195(6)
Hf8 O29 . 2.201(6)
Hf8 O28 . 2.288(7)
Hf8 O26 . 2.293(7)
Hf8 Hf9 . 3.5468(5)
Hf8 Hf7 . 3.5795(5)
Hf11 O7 . 2.033(6)
Hf11 O7 10_556 2.033(6)
Hf11 O56 . 2.094(9)
Hf11 O2 . 2.146(8)
Hf11 O53 . 2.172(7)
Hf11 O53 10_556 2.173(7)
Hf11 O12 . 2.293(9)
Hf11 Hf3 10_556 3.3869(5)
Hf11 Hf10 10_556 3.4845(5)
Hf9 O20 . 2.119(6)
Hf9 O21 . 2.123(6)
Hf9 O18 . 2.136(6)
Hf9 O19 . 2.151(6)
Hf9 O48 . 2.195(6)
Hf9 O30 . 2.205(6)
Hf9 O11 . 2.238(5)
Hf9 O31 . 2.292(6)
Hf7 O15 . 2.092(6)
Hf7 O14 . 2.125(6)
Hf7 O17 . 2.135(6)
Hf7 O16 . 2.141(6)
Hf7 O45 . 2.221(7)
Hf7 O24 . 2.240(6)
Hf7 O25 . 2.258(6)
Hf7 O10 . 2.266(6)
O2 Hf3 10_556 2.276(5)
O1 Hf2 10_556 2.250(5)
O37 S1 . 1.486(6)
O8 Hf3 10_556 2.356(5)
O8 Hf2 10_556 2.388(5)
S1 O39 . 1.449(6)
S1 O38 . 1.475(6)
S1 O36 . 1.492(6)
S6 O58 . 1.445(7)
S6 O58 10_556 1.445(7)
S6 O56 . 1.457(9)
S6 O57 . 1.484(8)
O12 Hf10 10_556 2.290(5)
O5 Hf3 10_556 2.086(4)
O4 Hf2 10_556 2.087(4)
O3 Hf3 10_556 2.052(5)
O3 Hf2 10_556 2.075(5)
O6 Hf6 10_556 2.037(5)
O6 Hf2 10_556 2.078(5)
O38 Hf2 10_556 2.321(6)
S8 O64 . 1.436(12)
S8 O63 . 1.436(9)
S8 O62 10_556 1.496(7)
S8 O62 . 1.496(7)
S7 O61 . 1.432(12)
S7 O60 . 1.451(10)
S7 O59 . 1.501(7)
S7 O59 10_556 1.501(7)
O9 Hf12 . 2.109(8)
O9 Hf6 10_556 2.286(5)
O48 S4 . 1.482(6)
O13 Hf6 10_556 2.104(4)
O45 S3 . 1.481(7)
O22 Hf10 10_556 2.098(4)
O7 Hf10 10_556 2.045(6)
O7 Hf3 10_556 2.068(6)
S4 O50 . 1.462(7)
S4 O51 . 1.467(7)
S4 O49 . 1.482(7)
S3 O46 . 1.417(9)
S3 O44 . 1.481(7)
S3 O47 . 1.492(10)
O23 Hf12 . 2.155(8)
O52 S5 . 1.489(7)
O55 S5 . 1.459(8)
O54 S5 . 1.464(10)
O53 S5 10_556 1.505(9)
S5 O53 10_556 1.505(9)
S10 O70 10_556 1.428(10)
S10 O70 . 1.428(10)
S10 O68 . 1.456(10)
S10 O69 . 1.50(2)
Hf12 O23 10_556 2.155(8)
Hf12 O35 . 2.2000(10)
Hf12 O34 . 2.2000(10)
Hf12 O43A . 2.32(2)
Hf12 O43A 10_556 2.32(2)
Hf12 Hf6 10_556 3.372(3)
S2B O41 . 1.428(9)
S2B O42B . 1.45(2)
S2B O43B . 1.468(19)
S2B O40 . 1.540(9)
S2A O42A . 1.412(16)
S2A O40 . 1.438(7)
S2A O43A . 1.492(17)
S2A O41 . 1.493(8)
S11 O71 10_557 1.469(18)
S11 O71 . 1.469(18)
S11 O73 . 1.469(15)
S11 O73 10_557 1.469(15)
S11 O72 . 1.510(17)
S11 O72 10_557 1.510(17)
S11 O74 10_557 1.52(2)
S11 O74 . 1.52(2)
O73 O73 10_557 1.43(3)
O73 O74 . 1.68(2)
O71 O74 . 1.53(3)
O71 O71 10_557 1.66(3)
O72 O72 10_557 1.39(3)
S9 O65 . 1.430(13)
S9 O66 . 1.63(2)
S9 O66 10_556 1.63(2)
S9 O67 . 1.644(19)
S9 O67 10_556 1.644(19)
O79 O79 10_556 1.46(3)
