#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/68/2016839.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2016839
loop_
_publ_author_name
'Zhang, Zai-Chao'
_publ_section_title
;Poly[hexaaquaocta-μ₃-hydroxido-tetrakis(μ₃-methylenedisulfonato)-μ₆-oxido-hexaytterbium(III)]:
 the first lanthanide sulfonate containing a hexanuclear Ln--hydroxide/oxide
 cluster synthesized via `ligand-controlled acidolysis' of lanthanide
 oxide
;
_journal_coeditor_code           MX3004
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m381
_journal_page_last               m383
_journal_paper_doi               10.1107/S0108270108033684
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Yb6 (C H2 O6 S2)4 (O H)8 O (H2 O)6]'
_chemical_formula_moiety         'C4 H28 O39 S8 Yb6'
_chemical_formula_sum            'C4 H28 O39 S8 Yb6'
_chemical_formula_weight         1994.98
_chemical_name_systematic
;
Poly[hexaaquaocta-μ₃-hydroxido-tetrakis(μ₃-methylenedisulfonato)-μ₆-
oxido-hexaytterbium(III)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 96.1580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.7633(2)
_cell_length_b                   12.4480(2)
_cell_length_c                   16.2201(3)
_cell_measurement_reflns_used    9872
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      55.04
_cell_measurement_theta_min      6.02
_cell_volume                     1759.17(6)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14471
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    16.393
_exptl_absorpt_correction_T_max  0.09
_exptl_absorpt_correction_T_min  0.06
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism-like
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .15
_refine_diff_density_max         0.953
_refine_diff_density_min         -1.498
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3100
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0556P)²+2.8927P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0749
_reflns_number_gt                2962
_reflns_number_total             3100
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            mx3004.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2016839
_cod_database_fobs_code          2016839
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
_atom_site_occupancy
C C1 0.0837(8) 0.5310(6) 0.7952(4) 0.0175(15) Uani d . 1
H H1A -0.0044 0.5269 0.8266 0.021 Uiso calc R 1
H H1B 0.1687 0.5596 0.8319 0.021 Uiso calc R 1
C C2 0.9862(7) 0.8662(5) 0.5684(4) 0.0135(14) Uani d . 1
H H2A 1.0477 0.8354 0.6159 0.016 Uiso calc R 1
H H2B 1.0335 0.9336 0.5552 0.016 Uiso calc R 1
O O1 0.5000 0.5000 0.5000 0.0103(13) Uani d S 1
O O2 0.6272(5) 0.4765(4) 0.6471(3) 0.0117(10) Uani d D 1
H H2 0.682(7) 0.477(6) 0.691(2) 0.014 Uiso d D 1
O O3 0.4627(5) 0.6716(4) 0.5809(3) 0.0109(9) Uani d D 1
H H3 0.459(9) 0.727(3) 0.608(4) 0.013 Uiso d D 1
O O4 0.3805(5) 0.3425(3) 0.5717(3) 0.0126(10) Uani d D 1
H H4 0.346(8) 0.291(4) 0.595(4) 0.015 Uiso d D 1
O O5 0.7871(5) 0.4623(3) 0.4980(3) 0.0107(9) Uani d D 1
H H5 0.869(4) 0.436(6) 0.489(5) 0.013 Uiso d D 1
O O6 0.1641(6) 0.6128(4) 0.6591(3) 0.0192(11) Uani d . 1
O O7 -0.1042(6) 0.5872(4) 0.6700(3) 0.0244(12) Uani d . 1
O O8 0.0338(6) 0.7264(4) 0.7490(3) 0.0245(12) Uani d . 1
O O9 0.2641(7) 0.4113(4) 0.7201(4) 0.0330(14) Uani d U 1
O O10 0.0035(7) 0.3554(5) 0.7150(4) 0.0358(13) Uani d U 1
O O11 0.1699(7) 0.3443(5) 0.8436(4) 0.0356(15) Uani d . 1
O O12 0.9286(5) 0.6745(4) 0.5083(3) 0.0162(10) Uani d . 1
O O13 1.1517(6) 0.7666(4) 0.4709(3) 0.0220(11) Uani d . 1
O O14 0.8958(7) 0.8242(4) 0.4125(3) 0.0275(13) Uani d . 1
O O15 0.7322(6) 0.7877(4) 0.6076(3) 0.0210(11) Uani d . 1
O O16 0.8219(6) 0.9527(4) 0.6727(3) 0.0247(12) Uani d . 1
O O17 0.7158(6) 0.9511(4) 0.5287(3) 0.0249(12) Uani d . 1
O O18 0.4633(7) 0.5998(4) 0.7527(3) 0.0250(12) Uani d D 1
H H18A 0.523(8) 0.567(6) 0.786(4) 0.030 Uiso d D 1
H H18B 0.443(10) 0.661(3) 0.766(5) 0.030 Uiso d D 1
O O19 0.7288(6) 0.2612(4) 0.6809(3) 0.0210(11) Uani d D 1
H H19A 0.805(5) 0.297(6) 0.696(5) 0.025 Uiso d D 1
H H19B 0.655(5) 0.270(6) 0.707(4) 0.025 Uiso d D 1
O O20 0.5586(6) 0.1539(4) 0.5441(3) 0.0188(11) Uani d D 1
H H20A 0.483(5) 0.135(6) 0.513(4) 0.023 Uiso d D 1
H H20B 0.633(5) 0.114(5) 0.544(5) 0.023 Uiso d D 1
S S1 0.04098(19) 0.62200(13) 0.71254(10) 0.0126(3) Uani d . 1
S S2 0.1317(2) 0.39858(14) 0.76587(12) 0.0187(4) Uani d . 1
S S3 0.98955(19) 0.77673(14) 0.48200(10) 0.0137(3) Uani d . 1
S S4 0.79995(19) 0.89288(13) 0.59619(11) 0.0133(3) Uani d . 1
Yb Yb1 0.37218(3) 0.51501(2) 0.625646(17) 0.00951(11) Uani d U 1
Yb Yb2 0.70535(3) 0.61052(2) 0.562251(17) 0.00904(11) Uani d . 1
Yb Yb3 0.63546(3) 0.33629(2) 0.554508(16) 0.00927(11) Uani d U 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Yb Yb -0.3850 5.5486 '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
_geom_angle_publ_flag
S1 C1 S2 . . 115.4(4) ?
S1 C1 H1A . . 108.4 ?
S2 C1 H1A . . 108.4 ?
S1 C1 H1B . . 108.4 ?
S2 C1 H1B . . 108.4 ?
H1A C1 H1B . . 107.5 ?
S4 C2 S3 . . 114.1(4) ?
S4 C2 H2A . . 108.7 ?
S3 C2 H2A . . 108.7 ?
S4 C2 H2B . . 108.7 ?
S3 C2 H2B . . 108.7 ?
H2A C2 H2B . . 107.6 ?
Yb2 O1 Yb2 3_666 . 180.000(11) ?
Yb2 O1 Yb1 3_666 3_666 89.734(9) ?
Yb2 O1 Yb1 . 3_666 90.266(9) ?
Yb2 O1 Yb1 3_666 . 90.266(9) y
Yb2 O1 Yb1 . . 89.734(9) y
Yb1 O1 Yb1 3_666 . 180.0 ?
Yb2 O1 Yb3 3_666 . 89.287(9) ?
Yb2 O1 Yb3 . . 90.713(9) y
Yb1 O1 Yb3 3_666 . 89.411(9) ?
Yb1 O1 Yb3 . . 90.589(9) y
Yb2 O1 Yb3 3_666 3_666 90.713(9) ?
Yb2 O1 Yb3 . 3_666 89.287(9) y
Yb1 O1 Yb3 3_666 3_666 90.589(9) ?
Yb1 O1 Yb3 . 3_666 89.411(9) y
Yb3 O1 Yb3 . 3_666 180.0 ?
Yb1 O2 Yb3 . . 99.12(17) ?
Yb1 O2 Yb2 . . 96.05(16) ?
Yb3 O2 Yb2 . . 97.25(17) ?
Yb1 O2 H2 . . 127(6) ?
Yb3 O2 H2 . . 121(5) ?
Yb2 O2 H2 . . 110(5) ?
Yb1 O3 Yb3 . 3_666 99.44(17) ?
Yb1 O3 Yb2 . . 96.80(17) ?
Yb3 O3 Yb2 3_666 . 96.75(16) ?
Yb1 O3 H3 . . 122(5) ?
Yb3 O3 H3 3_666 . 121(5) ?
Yb2 O3 H3 . . 116(5) ?
Yb3 O4 Yb2 . 3_666 96.83(17) ?
Yb3 O4 Yb1 . . 98.50(17) ?
Yb2 O4 Yb1 3_666 . 95.76(16) ?
Yb3 O4 H4 . . 116(6) ?
Yb2 O4 H4 3_666 . 122(5) ?
Yb1 O4 H4 . . 122(5) ?
Yb2 O5 Yb3 . . 98.42(16) ?
Yb2 O5 Yb1 . 3_666 96.14(16) ?
Yb3 O5 Yb1 . 3_666 96.13(16) ?
Yb2 O5 H5 . . 138(5) ?
Yb3 O5 H5 . . 110(5) ?
Yb1 O5 H5 3_666 . 110(5) ?
S1 O6 Yb1 . . 146.6(3) ?
S1 O7 Yb2 . 1_455 148.5(3) ?
S2 O9 Yb1 . . 144.7(3) ?
S3 O12 Yb2 . . 138.1(3) ?
S3 O13 Yb3 . 3_766 151.3(3) ?
S4 O15 Yb2 . . 147.0(3) ?
Yb1 O18 H18A . . 119(5) ?
Yb1 O18 H18B . . 125(5) ?
H18A O18 H18B . . 115(5) ?
Yb3 O19 H19A . . 105(6) ?
Yb3 O19 H19B . . 101(6) ?
H19A O19 H19B . . 116(5) ?
Yb3 O20 H20A . . 122(6) ?
Yb3 O20 H20B . . 112(5) ?
H20A O20 H20B . . 114(5) ?
O8 S1 O7 . . 113.2(3) ?
O8 S1 O6 . . 112.6(3) ?
O7 S1 O6 . . 111.2(3) ?
O8 S1 C1 . . 106.5(3) ?
O7 S1 C1 . . 105.9(3) ?
O6 S1 C1 . . 106.9(3) ?
O10 S2 O11 . . 115.2(4) ?
O10 S2 O9 . . 111.6(4) ?
O11 S2 O9 . . 112.1(4) ?
O10 S2 C1 . . 108.1(4) ?
O11 S2 C1 . . 103.9(3) ?
O9 S2 C1 . . 105.1(3) ?
O14 S3 O13 . . 114.7(3) ?
O14 S3 O12 . . 112.8(3) ?
O13 S3 O12 . . 110.6(3) ?
O14 S3 C2 . . 107.4(3) ?
O13 S3 C2 . . 104.4(3) ?
O12 S3 C2 . . 106.0(3) ?
O16 S4 O17 . . 113.8(3) ?
O16 S4 O15 . . 111.9(3) ?
O17 S4 O15 . . 111.4(3) ?
O16 S4 C2 . . 105.9(3) ?
O17 S4 C2 . . 108.1(3) ?
O15 S4 C2 . . 105.3(3) ?
O3 Yb1 O2 . . 81.82(16) ?
O3 Yb1 O9 . . 152.86(18) ?
O2 Yb1 O9 . . 104.43(19) ?
O3 Yb1 O6 . . 86.20(16) ?
O2 Yb1 O6 . . 149.77(18) ?
O9 Yb1 O6 . . 75.23(18) ?
O3 Yb1 O4 . . 130.68(16) ?
O2 Yb1 O4 . . 78.04(16) ?
O9 Yb1 O4 . . 76.28(18) ?
O6 Yb1 O4 . . 129.37(17) ?
O3 Yb1 O5 . 3_666 79.48(16) ?
O2 Yb1 O5 . 3_666 130.08(16) ?
O9 Yb1 O5 . 3_666 113.1(2) ?
O6 Yb1 O5 . 3_666 73.92(16) ?
O4 Yb1 O5 . 3_666 80.11(16) ?
O3 Yb1 O18 . . 78.34(18) ?
O2 Yb1 O18 . . 74.19(18) ?
O9 Yb1 O18 . . 78.1(2) ?
O6 Yb1 O18 . . 76.26(18) ?
O4 Yb1 O18 . . 135.73(17) ?
O5 Yb1 O18 3_666 . 143.69(17) ?
O3 Yb1 O1 . . 65.64(11) ?
O2 Yb1 O1 . . 65.15(11) ?
O9 Yb1 O1 . . 141.14(14) ?
O6 Yb1 O1 . . 133.14(12) ?
O4 Yb1 O1 . . 65.03(11) ?
O5 Yb1 O1 3_666 . 64.95(11) ?
O18 Yb1 O1 . . 128.15(15) ?
O3 Yb1 Yb2 . . 42.22(11) ?
O2 Yb1 Yb2 . . 42.39(11) ?
O9 Yb1 Yb2 . . 145.95(16) ?
O6 Yb1 Yb2 . . 127.68(12) ?
O4 Yb1 Yb2 . . 98.39(11) ?
O5 Yb1 Yb2 3_666 . 98.69(11) ?
O18 Yb1 Yb2 . . 83.55(15) ?
O1 Yb1 Yb2 . . 44.709(6) ?
O3 Yb1 Yb2 . 3_666 98.69(11) ?
O2 Yb1 Yb2 . 3_666 97.92(12) ?
O9 Yb1 Yb2 . 3_666 106.38(16) ?
O6 Yb1 Yb2 . 3_666 111.32(13) ?
O4 Yb1 Yb2 . 3_666 41.82(11) ?
O5 Yb1 Yb2 3_666 3_666 41.23(11) ?
O18 Yb1 Yb2 . 3_666 171.83(14) ?
O1 Yb1 Yb2 . 3_666 44.448(6) ?
Yb2 Yb1 Yb2 . 3_666 89.157(9) ?
O3 Yb1 Yb3 . 3_666 40.49(11) ?
O2 Yb1 Yb3 . 3_666 99.91(11) ?
O9 Yb1 Yb3 . 3_666 153.93(17) ?
O6 Yb1 Yb3 . 3_666 88.40(12) ?
O4 Yb1 Yb3 . 3_666 100.09(11) ?
O5 Yb1 Yb3 3_666 3_666 41.64(11) ?
O18 Yb1 Yb3 . 3_666 118.04(14) ?
O1 Yb1 Yb3 . 3_666 45.741(6) ?
Yb2 Yb1 Yb3 . 3_666 59.852(8) ?
Yb2 Yb1 Yb3 3_666 3_666 60.527(8) ?
O3 Yb1 Yb3 . . 100.19(11) ?
O2 Yb1 Yb3 . . 40.79(11) ?
O9 Yb1 Yb3 . . 101.42(13) ?
O6 Yb1 Yb3 . . 169.21(13) ?
O4 Yb1 Yb3 . . 40.30(11) ?
O5 Yb1 Yb3 3_666 . 98.55(11) ?
O18 Yb1 Yb3 . . 113.40(13) ?
O1 Yb1 Yb3 . . 45.143(6) ?
Yb2 Yb1 Yb3 . . 60.324(8) ?
Yb2 Yb1 Yb3 3_666 . 59.357(8) ?
Yb3 Yb1 Yb3 3_666 . 90.885(9) ?
O5 Yb2 O4 . 3_666 81.99(16) ?
O5 Yb2 O7 . 1_655 90.41(18) ?
O4 Yb2 O7 3_666 1_655 152.56(18) ?
O5 Yb2 O3 . . 131.88(16) ?
O4 Yb2 O3 3_666 . 80.04(16) ?
O7 Yb2 O3 1_655 . 123.03(18) ?
O5 Yb2 O2 . . 79.35(16) ?
O4 Yb2 O2 3_666 . 131.21(16) ?
O7 Yb2 O2 1_655 . 72.17(17) ?
O3 Yb2 O2 . . 79.86(16) ?
O5 Yb2 O15 . . 152.60(16) ?
O4 Yb2 O15 3_666 . 93.97(17) ?
O7 Yb2 O15 1_655 . 80.76(19) ?
O3 Yb2 O15 . . 73.13(16) ?
O2 Yb2 O15 . . 121.42(17) ?
O5 Yb2 O12 . . 77.86(16) ?
O4 Yb2 O12 3_666 . 76.36(17) ?
O7 Yb2 O12 1_655 . 76.27(18) ?
O3 Yb2 O12 . . 138.38(16) ?
O2 Yb2 O12 . . 140.58(16) ?
O15 Yb2 O12 . . 74.85(16) ?
O5 Yb2 O1 . . 66.46(11) ?
O4 Yb2 O1 3_666 . 66.01(11) ?
O7 Yb2 O1 1_655 . 134.17(13) ?
O3 Yb2 O1 . . 65.44(11) ?
O2 Yb2 O1 . . 65.20(11) ?
O15 Yb2 O1 . . 136.17(12) ?
O12 Yb2 O1 . . 130.52(12) ?
O5 Yb2 Yb1 . . 100.22(11) ?
O4 Yb2 Yb1 3_666 . 99.77(11) ?
O7 Yb2 Yb1 1_655 . 107.54(13) ?
O3 Yb2 Yb1 . . 40.99(11) ?
O2 Yb2 Yb1 . . 41.56(11) ?
O15 Yb2 Yb1 . . 107.18(12) ?
O12 Yb2 Yb1 . . 175.84(12) ?
O1 Yb2 Yb1 . . 45.556(6) ?
O5 Yb2 Yb3 . 3_666 101.68(11) ?
O4 Yb2 Yb3 3_666 3_666 41.42(11) ?
O7 Yb2 Yb3 1_655 3_666 164.24(14) ?
O3 Yb2 Yb3 . 3_666 41.24(11) ?
O2 Yb2 Yb3 . 3_666 99.93(11) ?
O15 Yb2 Yb3 . 3_666 92.52(13) ?
O12 Yb2 Yb3 . 3_666 115.90(12) ?
O1 Yb2 Yb3 . 3_666 46.231(6) ?
Yb1 Yb2 Yb3 . 3_666 60.683(8) ?
O5 Yb2 Yb1 . 3_666 42.62(11) ?
O4 Yb2 Yb1 3_666 3_666 42.42(11) ?
O7 Yb2 Yb1 1_655 3_666 132.53(15) ?
O3 Yb2 Yb1 . 3_666 99.74(11) ?
O2 Yb2 Yb1 . 3_666 99.05(11) ?
O15 Yb2 Yb1 . 3_666 135.76(13) ?
O12 Yb2 Yb1 . 3_666 85.25(12) ?
O1 Yb2 Yb1 . 3_666 45.287(6) ?
Yb1 Yb2 Yb1 . 3_666 90.843(9) ?
Yb3 Yb2 Yb1 3_666 3_666 61.220(8) ?
O5 Yb2 Yb3 . . 41.18(11) ?
O4 Yb2 Yb3 3_666 . 100.25(11) ?
O7 Yb2 Yb3 1_655 . 90.80(13) ?
O3 Yb2 Yb3 . . 99.63(11) ?
O2 Yb2 Yb3 . . 41.33(11) ?
O15 Yb2 Yb3 . . 162.75(12) ?
O12 Yb2 Yb3 . . 117.90(11) ?
O1 Yb2 Yb3 . . 45.497(6) ?
Yb1 Yb2 Yb3 . . 60.948(8) ?
Yb3 Yb2 Yb3 3_666 . 91.728(9) ?
Yb1 Yb2 Yb3 3_666 . 60.110(8) ?
O5 Yb2 H2 . . 84.8(16) ?
O4 Yb2 H2 3_666 . 147.8(10) ?
O7 Yb2 H2 1_655 . 56.1(11) ?
O3 Yb2 H2 . . 87.3(16) ?
O2 Yb2 H2 . . 16.6(10) ?
O15 Yb2 H2 . . 110.6(13) ?
O12 Yb2 H2 . . 129.0(13) ?
O1 Yb2 H2 . . 81.7(10) ?
Yb1 Yb2 H2 . . 54.0(13) ?
Yb3 Yb2 H2 3_666 . 114.4(12) ?
Yb1 Yb2 H2 3_666 . 112.6(12) ?
Yb3 Yb2 H2 . . 52.6(13) ?
O3 Yb3 O4 3_666 . 81.10(16) ?
O3 Yb3 O5 3_666 . 79.62(16) ?
O4 Yb3 O5 . . 129.67(15) ?
O3 Yb3 O2 3_666 . 128.77(16) ?
O4 Yb3 O2 . . 78.22(16) ?
O5 Yb3 O2 . . 78.71(16) ?
O3 Yb3 O19 3_666 . 153.76(17) ?
O4 Yb3 O19 . . 99.36(17) ?
O5 Yb3 O19 . . 117.47(17) ?
O2 Yb3 O19 . . 76.26(17) ?
O3 Yb3 O13 3_666 3_766 91.87(17) ?
O4 Yb3 O13 . 3_766 148.31(16) ?
O5 Yb3 O13 . 3_766 78.34(17) ?
O2 Yb3 O13 . 3_766 127.62(17) ?
O19 Yb3 O13 . 3_766 73.87(18) ?
O3 Yb3 O20 3_666 . 79.31(17) ?
O4 Yb3 O20 . . 76.48(17) ?
O5 Yb3 O20 . . 142.60(17) ?
O2 Yb3 O20 . . 137.92(17) ?
O19 Yb3 O20 . . 75.37(18) ?
O13 Yb3 O20 3_766 . 71.85(18) ?
O3 Yb3 O1 3_666 . 64.72(11) ?
O4 Yb3 O1 . . 65.00(11) ?
O5 Yb3 O1 . . 64.71(11) ?
O2 Yb3 O1 . . 64.06(11) ?
O19 Yb3 O1 . . 139.27(13) ?
O13 Yb3 O1 3_766 . 138.64(13) ?
O20 Yb3 O1 . . 129.95(13) ?
O3 Yb3 Yb2 3_666 3_666 42.02(11) ?
O4 Yb3 Yb2 . 3_666 41.75(11) ?
O5 Yb3 Yb2 . 3_666 98.86(11) ?
O2 Yb3 Yb2 . 3_666 97.32(11) ?
O19 Yb3 Yb2 . 3_666 140.36(13) ?
O13 Yb3 Yb2 3_766 3_666 132.39(13) ?
O20 Yb3 Yb2 . 3_666 85.49(13) ?
O1 Yb3 Yb2 . 3_666 44.482(6) ?
O3 Yb3 Yb1 3_666 3_666 40.07(11) ?
O4 Yb3 Yb1 . 3_666 98.90(11) ?
O5 Yb3 Yb1 . 3_666 42.22(11) ?
O2 Yb3 Yb1 . 3_666 98.41(11) ?
O19 Yb3 Yb1 . 3_666 159.45(13) ?
O13 Yb3 Yb1 3_766 3_666 95.06(13) ?
O20 Yb3 Yb1 . 3_666 118.28(13) ?
O1 Yb3 Yb1 . 3_666 44.848(6) ?
Yb2 Yb3 Yb1 3_666 3_666 59.465(7) ?
O3 Yb3 Yb2 3_666 . 97.15(11) ?
O4 Yb3 Yb2 . . 97.69(11) ?
O5 Yb3 Yb2 . . 40.40(11) ?
O2 Yb3 Yb2 . . 41.42(11) ?
O19 Yb3 Yb2 . . 108.69(13) ?
O13 Yb3 Yb2 3_766 . 113.88(12) ?
O20 Yb3 Yb2 . . 173.53(13) ?
O1 Yb3 Yb2 . . 43.791(6) ?
Yb2 Yb3 Yb2 3_666 . 88.272(9) ?
Yb1 Yb3 Yb2 3_666 . 59.363(8) ?
O3 Yb3 Yb1 3_666 . 98.74(11) ?
O4 Yb3 Yb1 . . 41.20(11) ?
O5 Yb3 Yb1 . . 97.31(11) ?
O2 Yb3 Yb1 . . 40.09(11) ?
O19 Yb3 Yb1 . . 98.49(13) ?
O13 Yb3 Yb1 3_766 . 167.66(13) ?
O20 Yb3 Yb1 . . 116.19(13) ?
O1 Yb3 Yb1 . . 44.268(6) ?
Yb2 Yb3 Yb1 3_666 . 59.422(7) ?
Yb1 Yb3 Yb1 3_666 . 89.115(9) ?
Yb2 Yb3 Yb1 . . 58.728(8) ?
O3 Yb3 H4 3_666 . 87.6(15) ?
O4 Yb3 H4 . . 15.6(11) ?
O5 Yb3 H4 . . 145.2(11) ?
O2 Yb3 H4 . . 84.7(15) ?
O19 Yb3 H4 . . 87.3(13) ?
O13 Yb3 H4 3_766 . 134.7(12) ?
O20 Yb3 H4 . . 63.6(13) ?
O1 Yb3 H4 . . 80.6(11) ?
Yb2 Yb3 H4 3_666 . 53.1(13) ?
Yb1 Yb3 H4 3_666 . 112.2(13) ?
Yb2 Yb3 H4 . . 111.1(13) ?
Yb1 Yb3 H4 . . 52.6(13) ?
O3 Yb3 H5 3_666 . 82.1(16) ?
O4 Yb3 H5 . . 145.5(11) ?
O5 Yb3 H5 . . 16.5(10) ?
O2 Yb3 H5 . . 89.4(14) ?
O19 Yb3 H5 . . 108.8(14) ?
O13 Yb3 H5 3_766 . 61.9(10) ?
O20 Yb3 H5 . . 129.1(12) ?
O1 Yb3 H5 . . 80.6(10) ?
Yb2 Yb3 H5 3_666 . 110.2(13) ?
Yb1 Yb3 H5 3_666 . 50.8(14) ?
Yb2 Yb3 H5 . . 55.0(11) ?
Yb1 Yb3 H5 . . 113.2(11) ?
H4 Yb3 H5 . . 161.0(16) ?
O3 Yb3 H19A 3_666 . 161.8(16) ?
O4 Yb3 H19A . . 111.5(13) ?
O5 Yb3 H19A . . 100.3(10) ?
O2 Yb3 H19A . . 68.3(16) ?
O19 Yb3 H19A . . 17.4(10) ?
O13 Yb3 H19A 3_766 . 70.5(16) ?
O20 Yb3 H19A . . 90.7(12) ?
O1 Yb3 H19A . . 131.9(15) ?
Yb2 Yb3 H19A 3_666 . 153.1(14) ?
Yb1 Yb3 H19A 3_666 . 142.5(10) ?
Yb2 Yb3 H19A . . 94.1(13) ?
Yb1 Yb3 H19A . . 99.3(16) ?
H4 Yb3 H19A . . 101.6(18) ?
H5 Yb3 H19A . . 92.9(18) ?
O3 Yb3 H19B 3_666 . 152.4(15) ?
O4 Yb3 H19B . . 82.0(9) ?
O5 Yb3 H19B . . 127.7(14) ?
O2 Yb3 H19B . . 67.9(16) ?
O19 Yb3 H19B . . 18.0(9) ?
O13 Yb3 H19B 3_766 . 91.2(10) ?
O20 Yb3 H19B . . 75.7(16) ?
O1 Yb3 H19B . . 125.6(13) ?
Yb2 Yb3 H19B 3_666 . 123.6(9) ?
Yb1 Yb3 H19B 3_666 . 165.9(16) ?
Yb2 Yb3 H19B . . 106.6(16) ?
Yb1 Yb3 H19B . . 82.3(12) ?
H4 Yb3 H19B . . 71.1(17) ?
H5 Yb3 H19B . . 123.0(19) ?
H19A Yb3 H19B . . 30.6(12) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 S1 . 1.765(7) ?
C1 S2 . 1.779(7) ?
C1 H1A . 0.9700 ?
C1 H1B . 0.9700 ?
C2 S4 . 1.771(7) ?
C2 S3 . 1.793(7) ?
C2 H2A . 0.9700 ?
C2 H2B . 0.9700 ?
O1 Yb2 3_666 2.4001(3) ?
O1 Yb2 . 2.4001(3) y
O1 Yb1 3_666 2.4357(3) ?
O1 Yb1 . 2.4357(3) y
O1 Yb3 . 2.4736(3) y
O1 Yb3 3_666 2.4736(3) ?
O2 Yb1 . 2.276(4) y
O2 Yb3 . 2.309(5) y
O2 Yb2 . 2.313(4) y
O2 H2 . 0.82(4) ?
O3 Yb1 . 2.254(4) y
O3 Yb3 3_666 2.273(4) y
O3 Yb2 . 2.309(4) y
O3 H3 . 0.82(5) ?
O4 Yb3 . 2.282(5) y
O4 Yb2 3_666 2.297(5) y
O4 Yb1 . 2.324(4) y
O4 H4 . 0.82(6) ?
O5 Yb2 . 2.272(4) y
O5 Yb3 . 2.308(4) y
O5 Yb1 3_666 2.334(5) y
O5 H5 . 0.82(4) ?
O6 S1 . 1.459(5) ?
O6 Yb1 . 2.305(5) ?
O7 S1 . 1.448(5) ?
O7 Yb2 1_455 2.301(5) ?
O8 S1 . 1.432(5) ?
O9 S2 . 1.452(5) ?
O9 Yb1 . 2.285(5) ?
O10 S2 . 1.426(6) ?
O11 S2 . 1.437(6) ?
O12 S3 . 1.461(5) ?
O12 Yb2 . 2.366(4) ?
O13 S3 . 1.457(5) ?
O13 Yb3 3_766 2.335(5) ?
O14 S3 . 1.448(5) ?
O15 S4 . 1.458(5) ?
O15 Yb2 . 2.329(5) ?
O16 S4 . 1.443(5) ?
O17 S4 . 1.447(5) ?
O18 Yb1 . 2.375(5) ?
O18 H18A . 0.82(7) ?
O18 H18B . 0.82(5) ?
O19 Yb3 . 2.321(5) ?
O19 H19A . 0.82(6) ?
O19 H19B . 0.82(5) ?
O20 Yb3 . 2.369(5) ?
O20 H20A . 0.82(5) ?
O20 H20B . 0.82(5) ?
Yb1 O5 3_666 2.334(5) ?
Yb1 Yb2 . 3.4116(4) ?
Yb1 Yb2 3_666 3.4275(4) ?
Yb1 Yb3 3_666 3.4536(4) ?
Yb1 Yb3 . 3.4893(4) ?
Yb2 O4 3_666 2.297(5) ?
Yb2 O7 1_655 2.301(5) ?
Yb2 Yb3 3_666 3.4252(4) ?
Yb2 Yb1 3_666 3.4275(4) ?
Yb2 Yb3 . 3.4680(4) ?
Yb2 H2 . 2.70(6) ?
Yb3 O3 3_666 2.273(4) ?
Yb3 O13 3_766 2.335(5) ?
Yb3 Yb2 3_666 3.4252(4) ?
Yb3 Yb1 3_666 3.4536(4) ?
Yb3 H4 . 2.74(6) ?
Yb3 H5 . 2.71(6) ?
Yb3 H19A . 2.65(7) ?
Yb3 H19B . 2.60(7) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O2 H2 O16 2_646 0.82(4) 2.23(5) 2.923(7) 143(7) yes
O3 H3 O11 2_556 0.82(5) 2.05(4) 2.789(7) 149(7) yes
O4 H4 O14 3_666 0.82(6) 2.55(5) 3.220(8) 140(7) yes
O5 H5 O12 3_766 0.82(4) 2.24(3) 3.029(6) 162(7) yes
O18 H18A O16 2_646 0.82(7) 2.03(7) 2.805(7) 157(8) yes
O18 H18B O14 4_576 0.82(5) 2.47(8) 2.880(7) 112(7) yes
O19 H19A O10 1_655 0.82(6) 1.88(5) 2.682(8) 166(7) yes
O19 H19B O8 2_546 0.82(5) 1.95(3) 2.708(7) 154(7) yes
O20 H20A O17 3_666 0.82(5) 2.09(3) 2.877(7) 159(8) yes
O20 H20B O17 1_545 0.82(5) 2.18(4) 2.900(7) 148(7) yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
Yb2 O7 S1 O8 1_455 . 65.8(7)
Yb2 O7 S1 O6 1_455 . -62.2(8)
Yb2 O7 S1 C1 1_455 . -178.0(6)
Yb1 O6 S1 O8 . . 129.9(5)
Yb1 O6 S1 O7 . . -101.8(6)
Yb1 O6 S1 C1 . . 13.3(7)
S2 C1 S1 O8 . . -169.6(4)
S2 C1 S1 O7 . . 69.7(5)
S2 C1 S1 O6 . . -48.9(5)
Yb1 O9 S2 O10 . . 77.2(7)
Yb1 O9 S2 O11 . . -151.9(6)
Yb1 O9 S2 C1 . . -39.7(8)
S1 C1 S2 O10 . . -60.7(5)
S1 C1 S2 O11 . . 176.5(4)
S1 C1 S2 O9 . . 58.6(5)
Yb3 O13 S3 O14 3_766 . -105.6(7)
Yb3 O13 S3 O12 3_766 . 23.5(8)
Yb3 O13 S3 C2 3_766 . 137.1(7)
Yb2 O12 S3 O14 . . -62.4(5)
Yb2 O12 S3 O13 . . 167.6(4)
Yb2 O12 S3 C2 . . 54.9(5)
S4 C2 S3 O14 . . 57.9(5)
S4 C2 S3 O13 . . -179.8(4)
S4 C2 S3 O12 . . -62.9(4)
Yb2 O15 S4 O16 . . -152.4(5)
Yb2 O15 S4 O17 . . 79.0(6)
Yb2 O15 S4 C2 . . -37.9(7)
S3 C2 S4 O16 . . 172.1(4)
S3 C2 S4 O17 . . -65.7(4)
S3 C2 S4 O15 . . 53.4(4)
Yb3 O3 Yb1 O2 3_666 . 115.85(18)
Yb2 O3 Yb1 O2 . . 17.81(16)
Yb3 O3 Yb1 O9 3_666 . -138.4(4)
Yb2 O3 Yb1 O9 . . 123.6(4)
Yb3 O3 Yb1 O6 3_666 . -91.98(18)
Yb2 O3 Yb1 O6 . . 169.98(18)
Yb3 O3 Yb1 O4 3_666 . 49.4(3)
Yb2 O3 Yb1 O4 . . -48.6(3)
Yb3 O3 Yb1 O5 3_666 3_666 -17.64(16)
Yb2 O3 Yb1 O5 . 3_666 -115.68(17)
Yb3 O3 Yb1 O18 3_666 . -168.7(2)
Yb2 O3 Yb1 O18 . . 93.25(19)
Yb3 O3 Yb1 O1 3_666 . 49.49(10)
Yb2 O3 Yb1 O1 . . -48.54(10)
Yb3 O3 Yb1 Yb2 3_666 . 98.04(19)
Yb3 O3 Yb1 Yb2 3_666 3_666 19.02(15)
Yb2 O3 Yb1 Yb2 . 3_666 -79.01(13)
Yb2 O3 Yb1 Yb3 . 3_666 -98.04(19)
Yb3 O3 Yb1 Yb3 3_666 . 79.26(14)
Yb2 O3 Yb1 Yb3 . . -18.78(15)
Yb3 O2 Yb1 O3 . . -116.11(18)
Yb2 O2 Yb1 O3 . . -17.75(16)
Yb3 O2 Yb1 O9 . . 90.8(2)
Yb2 O2 Yb1 O9 . . -170.79(19)
Yb3 O2 Yb1 O6 . . 176.2(2)
Yb2 O2 Yb1 O6 . . -85.4(3)
Yb3 O2 Yb1 O4 . . 18.60(16)
Yb2 O2 Yb1 O4 . . 116.96(18)
Yb3 O2 Yb1 O5 . 3_666 -47.3(2)
Yb2 O2 Yb1 O5 . 3_666 51.0(2)
Yb3 O2 Yb1 O18 . . 163.8(2)
Yb2 O2 Yb1 O18 . . -97.9(2)
Yb3 O2 Yb1 O1 . . -49.23(11)
Yb2 O2 Yb1 O1 . . 49.13(10)
Yb3 O2 Yb1 Yb2 . . -98.4(2)
Yb3 O2 Yb1 Yb2 . 3_666 -18.41(14)
Yb2 O2 Yb1 Yb2 . 3_666 79.96(13)
Yb3 O2 Yb1 Yb3 . 3_666 -79.72(13)
Yb2 O2 Yb1 Yb3 . 3_666 18.64(14)
Yb2 O2 Yb1 Yb3 . . 98.4(2)
S2 O9 Yb1 O3 . . 58.3(10)
S2 O9 Yb1 O2 . . 158.6(7)
S2 O9 Yb1 O6 . . 9.9(7)
S2 O9 Yb1 O4 . . -127.8(7)
S2 O9 Yb1 O5 . 3_666 -55.1(7)
S2 O9 Yb1 O18 . . 88.6(7)
S2 O9 Yb1 O1 . . -133.2(6)
S2 O9 Yb1 Yb2 . . 147.5(5)
S2 O9 Yb1 Yb2 . 3_666 -98.4(7)
S2 O9 Yb1 Yb3 . 3_666 -42.9(9)
S2 O9 Yb1 Yb3 . . -159.6(7)
S1 O6 Yb1 O3 . . -152.5(6)
S1 O6 Yb1 O2 . . -85.9(7)
S1 O6 Yb1 O9 . . 7.5(6)
S1 O6 Yb1 O4 . . 65.2(6)
S1 O6 Yb1 O5 . 3_666 127.3(6)
S1 O6 Yb1 O18 . . -73.6(6)
S1 O6 Yb1 O1 . . 156.4(5)
S1 O6 Yb1 Yb2 . . -144.0(5)
S1 O6 Yb1 Yb2 . 3_666 109.6(6)
S1 O6 Yb1 Yb3 . 3_666 167.0(6)
S1 O6 Yb1 Yb3 . . 80.7(9)
Yb3 O4 Yb1 O3 . . 49.3(3)
Yb2 O4 Yb1 O3 3_666 . -48.6(3)
Yb3 O4 Yb1 O2 . . -18.80(16)
Yb2 O4 Yb1 O2 3_666 . -116.61(18)
Yb3 O4 Yb1 O9 . . -127.1(2)
Yb2 O4 Yb1 O9 3_666 . 135.1(2)
Yb3 O4 Yb1 O6 . . 175.58(16)
Yb2 O4 Yb1 O6 3_666 . 77.8(2)
Yb3 O4 Yb1 O5 . 3_666 116.03(17)
Yb2 O4 Yb1 O5 3_666 3_666 18.22(15)
Yb3 O4 Yb1 O18 . . -70.7(3)
Yb2 O4 Yb1 O18 3_666 . -168.6(2)
Yb3 O4 Yb1 O1 . . 49.16(10)
Yb2 O4 Yb1 O1 3_666 . -48.65(10)
Yb3 O4 Yb1 Yb2 . . 18.61(15)
Yb2 O4 Yb1 Yb2 3_666 . -79.21(13)
Yb3 O4 Yb1 Yb2 . 3_666 97.82(19)
Yb3 O4 Yb1 Yb3 . 3_666 79.31(14)
Yb2 O4 Yb1 Yb3 3_666 3_666 -18.51(14)
Yb2 O4 Yb1 Yb3 3_666 . -97.82(19)
Yb2 O1 Yb1 O3 3_666 . -134.29(13)
Yb2 O1 Yb1 O3 . . 45.71(13)
Yb1 O1 Yb1 O3 3_666 . 10E1(10)
Yb3 O1 Yb1 O3 . . 136.42(13)
Yb3 O1 Yb1 O3 3_666 . -43.58(13)
Yb2 O1 Yb1 O2 3_666 . 133.55(12)
Yb2 O1 Yb1 O2 . . -46.45(12)
Yb1 O1 Yb1 O2 3_666 . 1E1(10)
Yb3 O1 Yb1 O2 . . 44.26(12)
Yb3 O1 Yb1 O2 3_666 . -135.74(12)
Yb2 O1 Yb1 O9 3_666 . 51.4(3)
Yb2 O1 Yb1 O9 . . -128.6(3)
Yb1 O1 Yb1 O9 3_666 . -8E1(10)
Yb3 O1 Yb1 O9 . . -37.9(3)
Yb3 O1 Yb1 O9 3_666 . 142.1(3)
Yb2 O1 Yb1 O6 3_666 . -75.88(18)
Yb2 O1 Yb1 O6 . . 104.12(18)
Yb1 O1 Yb1 O6 3_666 . 16E1(10)
Yb3 O1 Yb1 O6 . . -165.17(18)
Yb3 O1 Yb1 O6 3_666 . 14.83(18)
Yb2 O1 Yb1 O4 3_666 . 45.63(13)
Yb2 O1 Yb1 O4 . . -134.37(13)
Yb1 O1 Yb1 O4 3_666 . -8E1(10)
Yb3 O1 Yb1 O4 . . -43.66(13)
Yb3 O1 Yb1 O4 3_666 . 136.34(13)
Yb2 O1 Yb1 O5 3_666 3_666 -44.85(12)
Yb2 O1 Yb1 O5 . 3_666 135.15(12)
Yb1 O1 Yb1 O5 3_666 3_666 -17E1(10)
Yb3 O1 Yb1 O5 . 3_666 -134.14(12)
Yb3 O1 Yb1 O5 3_666 3_666 45.86(12)
Yb2 O1 Yb1 O18 3_666 . 175.33(17)
Yb2 O1 Yb1 O18 . . -4.67(17)
Yb1 O1 Yb1 O18 3_666 . 5E1(10)
Yb3 O1 Yb1 O18 . . 86.04(17)
Yb3 O1 Yb1 O18 3_666 . -93.96(17)
Yb2 O1 Yb1 Yb2 3_666 . 180.0
Yb1 O1 Yb1 Yb2 3_666 . 5E1(10)
Yb3 O1 Yb1 Yb2 . . 90.710(9)
Yb3 O1 Yb1 Yb2 3_666 . -89.290(9)
Yb2 O1 Yb1 Yb2 . 3_666 180.0
Yb1 O1 Yb1 Yb2 3_666 3_666 -13E1(10)
Yb3 O1 Yb1 Yb2 . 3_666 -89.290(9)
Yb3 O1 Yb1 Yb2 3_666 3_666 90.710(9)
Yb2 O1 Yb1 Yb3 3_666 3_666 -90.710(9)
Yb2 O1 Yb1 Yb3 . 3_666 89.290(9)
Yb1 O1 Yb1 Yb3 3_666 3_666 14E1(10)
Yb3 O1 Yb1 Yb3 . 3_666 180.0
Yb2 O1 Yb1 Yb3 3_666 . 89.290(9)
Yb2 O1 Yb1 Yb3 . . -90.710(9)
Yb1 O1 Yb1 Yb3 3_666 . -4E1(10)
Yb3 O1 Yb1 Yb3 3_666 . 180.0
Yb3 O5 Yb2 O4 . 3_666 -115.71(18)
Yb1 O5 Yb2 O4 3_666 3_666 -18.56(16)
Yb3 O5 Yb2 O7 . 1_655 90.75(18)
Yb1 O5 Yb2 O7 3_666 1_655 -172.10(17)
Yb3 O5 Yb2 O3 . . -46.9(3)
Yb1 O5 Yb2 O3 3_666 . 50.3(2)
Yb3 O5 Yb2 O2 . . 18.99(16)
Yb1 O5 Yb2 O2 3_666 . 116.14(17)
Yb3 O5 Yb2 O15 . . 161.2(3)
Yb1 O5 Yb2 O15 3_666 . -101.7(4)
Yb3 O5 Yb2 O12 . . 166.60(19)
Yb1 O5 Yb2 O12 3_666 . -96.24(17)
Yb3 O5 Yb2 O1 . . -48.45(10)
Yb1 O5 Yb2 O1 3_666 . 48.71(9)
Yb3 O5 Yb2 Yb1 . . -17.16(15)
Yb1 O5 Yb2 Yb1 3_666 . 79.99(12)
Yb3 O5 Yb2 Yb3 . 3_666 -79.08(14)
Yb1 O5 Yb2 Yb3 3_666 3_666 18.08(14)
Yb3 O5 Yb2 Yb1 . 3_666 -97.15(18)
Yb1 O5 Yb2 Yb3 3_666 . 97.15(18)
Yb1 O3 Yb2 O5 . . 48.0(3)
Yb3 O3 Yb2 O5 3_666 . -52.4(2)
Yb1 O3 Yb2 O4 . 3_666 117.69(18)
Yb3 O3 Yb2 O4 3_666 3_666 17.29(16)
Yb1 O3 Yb2 O7 . 1_655 -78.4(2)
Yb3 O3 Yb2 O7 3_666 1_655 -178.84(17)
Yb1 O3 Yb2 O2 . . -17.62(16)
Yb3 O3 Yb2 O2 3_666 . -118.01(18)
Yb1 O3 Yb2 O15 . . -145.0(2)
Yb3 O3 Yb2 O15 3_666 . 114.6(2)
Yb1 O3 Yb2 O12 . . 173.76(18)
Yb3 O3 Yb2 O12 3_666 . 73.4(3)
Yb1 O3 Yb2 O1 . . 49.63(10)
Yb3 O3 Yb2 O1 3_666 . -50.77(10)
Yb3 O3 Yb2 Yb1 3_666 . -100.39(19)
Yb1 O3 Yb2 Yb3 . 3_666 100.39(19)
Yb1 O3 Yb2 Yb1 . 3_666 79.93(13)
Yb3 O3 Yb2 Yb1 3_666 3_666 -20.46(14)
Yb1 O3 Yb2 Yb3 . . 18.86(15)
Yb3 O3 Yb2 Yb3 3_666 . -81.53(13)
Yb1 O2 Yb2 O5 . . -118.95(18)
Yb3 O2 Yb2 O5 . . -18.93(16)
Yb1 O2 Yb2 O4 . 3_666 -49.6(3)
Yb3 O2 Yb2 O4 . 3_666 50.4(3)
Yb1 O2 Yb2 O7 . 1_655 147.1(2)
Yb3 O2 Yb2 O7 . 1_655 -112.8(2)
Yb1 O2 Yb2 O3 . . 17.41(16)
Yb3 O2 Yb2 O3 . . 117.43(17)
Yb1 O2 Yb2 O15 . . 80.4(2)
Yb3 O2 Yb2 O15 . . -179.61(16)
Yb1 O2 Yb2 O12 . . -174.50(19)
Yb3 O2 Yb2 O12 . . -74.5(3)
Yb1 O2 Yb2 O1 . . -50.10(10)
Yb3 O2 Yb2 O1 . . 49.93(10)
Yb3 O2 Yb2 Yb1 . . 100.02(19)
Yb1 O2 Yb2 Yb3 . 3_666 -18.80(15)
Yb3 O2 Yb2 Yb3 . 3_666 81.22(13)
Yb1 O2 Yb2 Yb1 . 3_666 -80.96(13)
Yb3 O2 Yb2 Yb1 . 3_666 19.06(14)
Yb1 O2 Yb2 Yb3 . . -100.02(19)
S4 O15 Yb2 O5 . . 25.1(9)
S4 O15 Yb2 O4 . 3_666 -55.1(6)
S4 O15 Yb2 O7 . 1_655 97.8(6)
S4 O15 Yb2 O3 . . -133.4(6)
S4 O15 Yb2 O2 . . 160.2(5)
S4 O15 Yb2 O12 . . 19.6(6)
S4 O15 Yb2 O1 . . -114.0(5)
S4 O15 Yb2 Yb1 . . -156.6(6)
S4 O15 Yb2 Yb3 . 3_666 -96.6(6)
S4 O15 Yb2 Yb1 . 3_666 -46.8(7)
S4 O15 Yb2 Yb3 . . 159.3(3)
S3 O12 Yb2 O5 . . 153.9(5)
S3 O12 Yb2 O4 . 3_666 69.3(4)
S3 O12 Yb2 O7 . 1_655 -112.7(5)
S3 O12 Yb2 O3 . . 12.1(6)
S3 O12 Yb2 O2 . . -150.1(4)
S3 O12 Yb2 O15 . . -28.7(4)
S3 O12 Yb2 O1 . . 110.1(4)
S3 O12 Yb2 Yb1 . . 91.0(16)
S3 O12 Yb2 Yb3 . 3_666 56.7(5)
S3 O12 Yb2 Yb1 . 3_666 111.4(4)
S3 O12 Yb2 Yb3 . . 163.8(4)
Yb2 O1 Yb2 O5 3_666 . 10E1(8)
Yb1 O1 Yb2 O5 3_666 . -45.72(12)
Yb1 O1 Yb2 O5 . . 134.28(12)
Yb3 O1 Yb2 O5 . . 43.70(12)
Yb3 O1 Yb2 O5 3_666 . -136.30(12)
Yb2 O1 Yb2 O4 3_666 3_666 -17E1(8)
Yb1 O1 Yb2 O4 3_666 3_666 45.85(12)
Yb1 O1 Yb2 O4 . 3_666 -134.15(12)
Yb3 O1 Yb2 O4 . 3_666 135.27(12)
Yb3 O1 Yb2 O4 3_666 3_666 -44.73(12)
Yb2 O1 Yb2 O7 3_666 1_655 4E1(8)
Yb1 O1 Yb2 O7 3_666 1_655 -111.4(2)
Yb1 O1 Yb2 O7 . 1_655 68.6(2)
Yb3 O1 Yb2 O7 . 1_655 -21.9(2)
Yb3 O1 Yb2 O7 3_666 1_655 158.1(2)
Yb2 O1 Yb2 O3 3_666 . -8E1(8)
Yb1 O1 Yb2 O3 3_666 . 135.58(12)
Yb1 O1 Yb2 O3 . . -44.42(12)
Yb3 O1 Yb2 O3 . . -135.00(12)
Yb3 O1 Yb2 O3 3_666 . 45.00(12)
Yb2 O1 Yb2 O2 3_666 . 2E1(8)
Yb1 O1 Yb2 O2 3_666 . -134.53(12)
Yb1 O1 Yb2 O2 . . 45.47(12)
Yb3 O1 Yb2 O2 . . -45.12(12)
Yb3 O1 Yb2 O2 3_666 . 134.88(12)
Yb2 O1 Yb2 O15 3_666 . -10E1(8)
Yb1 O1 Yb2 O15 3_666 . 115.11(18)
Yb1 O1 Yb2 O15 . . -64.89(18)
Yb3 O1 Yb2 O15 . . -155.48(18)
Yb3 O1 Yb2 O15 3_666 . 24.52(18)
Yb2 O1 Yb2 O12 3_666 . 15E1(8)
Yb1 O1 Yb2 O12 3_666 . 1.90(15)
Yb1 O1 Yb2 O12 . . -178.10(15)
Yb3 O1 Yb2 O12 . . 91.32(15)
Yb3 O1 Yb2 O12 3_666 . -88.68(15)
Yb2 O1 Yb2 Yb1 3_666 . -3E1(8)
Yb1 O1 Yb2 Yb1 3_666 . 180.0
Yb3 O1 Yb2 Yb1 . . -90.586(9)
Yb3 O1 Yb2 Yb1 3_666 . 89.414(9)
Yb2 O1 Yb2 Yb3 3_666 3_666 -12E1(8)
Yb1 O1 Yb2 Yb3 3_666 3_666 90.586(9)
Yb1 O1 Yb2 Yb3 . 3_666 -89.414(9)
Yb3 O1 Yb2 Yb3 . 3_666 180.0
Yb2 O1 Yb2 Yb1 3_666 3_666 15E1(8)
Yb1 O1 Yb2 Yb1 . 3_666 180.0
Yb3 O1 Yb2 Yb1 . 3_666 89.414(9)
Yb3 O1 Yb2 Yb1 3_666 3_666 -90.586(9)
Yb2 O1 Yb2 Yb3 3_666 . 6E1(8)
Yb1 O1 Yb2 Yb3 3_666 . -89.414(9)
Yb1 O1 Yb2 Yb3 . . 90.586(9)
Yb3 O1 Yb2 Yb3 3_666 . 180.0
O3 Yb1 Yb2 O5 . . -145.8(2)
O2 Yb1 Yb2 O5 . . 60.9(2)
O9 Yb1 Yb2 O5 . . 77.0(3)
O6 Yb1 Yb2 O5 . . -158.4(2)
O4 Yb1 Yb2 O5 . . -0.90(16)
O5 Yb1 Yb2 O5 3_666 . -82.09(17)
O18 Yb1 Yb2 O5 . . 134.48(18)
O1 Yb1 Yb2 O5 . . -41.83(12)
Yb2 Yb1 Yb2 O5 3_666 . -41.83(12)
Yb3 Yb1 Yb2 O5 3_666 . -97.74(12)
Yb3 Yb1 Yb2 O5 . . 12.84(12)
O3 Yb1 Yb2 O4 . 3_666 -62.2(2)
O2 Yb1 Yb2 O4 . 3_666 144.4(2)
O9 Yb1 Yb2 O4 . 3_666 160.5(3)
O6 Yb1 Yb2 O4 . 3_666 -74.91(19)
O4 Yb1 Yb2 O4 . 3_666 82.63(17)
O5 Yb1 Yb2 O4 3_666 3_666 1.44(15)
O18 Yb1 Yb2 O4 . 3_666 -142.00(17)
O1 Yb1 Yb2 O4 . 3_666 41.70(11)
Yb2 Yb1 Yb2 O4 3_666 3_666 41.70(11)
Yb3 Yb1 Yb2 O4 3_666 3_666 -14.21(11)
Yb3 Yb1 Yb2 O4 . 3_666 96.37(11)
O3 Yb1 Yb2 O7 . 1_655 120.5(2)
O2 Yb1 Yb2 O7 . 1_655 -32.8(2)
O9 Yb1 Yb2 O7 . 1_655 -16.7(3)
O6 Yb1 Yb2 O7 . 1_655 107.9(2)
O4 Yb1 Yb2 O7 . 1_655 -94.60(19)
O5 Yb1 Yb2 O7 3_666 1_655 -175.79(18)
O18 Yb1 Yb2 O7 . 1_655 40.8(2)
O1 Yb1 Yb2 O7 . 1_655 -135.53(15)
Yb2 Yb1 Yb2 O7 3_666 1_655 -135.53(15)
Yb3 Yb1 Yb2 O7 3_666 1_655 168.56(15)
Yb3 Yb1 Yb2 O7 . 1_655 -80.86(15)
O2 Yb1 Yb2 O3 . . -153.3(2)
O9 Yb1 Yb2 O3 . . -137.2(3)
O6 Yb1 Yb2 O3 . . -12.7(2)
O4 Yb1 Yb2 O3 . . 144.9(2)
O5 Yb1 Yb2 O3 3_666 . 63.7(2)
O18 Yb1 Yb2 O3 . . -79.7(2)
O1 Yb1 Yb2 O3 . . 103.95(17)
Yb2 Yb1 Yb2 O3 3_666 . 103.95(17)
Yb3 Yb1 Yb2 O3 3_666 . 48.04(17)
Yb3 Yb1 Yb2 O3 . . 158.62(17)
O3 Yb1 Yb2 O2 . . 153.3(2)
O9 Yb1 Yb2 O2 . . 16.1(3)
O6 Yb1 Yb2 O2 . . 140.7(2)
O4 Yb1 Yb2 O2 . . -61.8(2)
O5 Yb1 Yb2 O2 3_666 . -143.0(2)
O18 Yb1 Yb2 O2 . . 73.6(2)
O1 Yb1 Yb2 O2 . . -102.74(17)
Yb2 Yb1 Yb2 O2 3_666 . -102.74(17)
Yb3 Yb1 Yb2 O2 3_666 . -158.65(17)
Yb3 Yb1 Yb2 O2 . . -48.07(17)
O3 Yb1 Yb2 O15 . . 35.0(2)
O2 Yb1 Yb2 O15 . . -118.3(2)
O9 Yb1 Yb2 O15 . . -102.2(3)
O6 Yb1 Yb2 O15 . . 22.4(2)
O4 Yb1 Yb2 O15 . . 179.90(18)
O5 Yb1 Yb2 O15 3_666 . 98.71(18)
O18 Yb1 Yb2 O15 . . -44.72(19)
O1 Yb1 Yb2 O15 . . 138.98(14)
Yb2 Yb1 Yb2 O15 3_666 . 138.98(14)
Yb3 Yb1 Yb2 O15 3_666 . 83.07(14)
Yb3 Yb1 Yb2 O15 . . -166.35(14)
O3 Yb1 Yb2 O12 . . -83.6(16)
O2 Yb1 Yb2 O12 . . 123.1(15)
O9 Yb1 Yb2 O12 . . 139.1(16)
O6 Yb1 Yb2 O12 . . -96.3(15)
O4 Yb1 Yb2 O12 . . 61.3(15)
O5 Yb1 Yb2 O12 3_666 . -19.9(15)
O18 Yb1 Yb2 O12 . . -163.4(15)
O1 Yb1 Yb2 O12 . . 20.3(15)
Yb2 Yb1 Yb2 O12 3_666 . 20.3(15)
Yb3 Yb1 Yb2 O12 3_666 . -35.6(15)
Yb3 Yb1 Yb2 O12 . . 75.0(15)
O3 Yb1 Yb2 O1 . . -103.95(17)
O2 Yb1 Yb2 O1 . . 102.74(17)
O9 Yb1 Yb2 O1 . . 118.8(3)
O6 Yb1 Yb2 O1 . . -116.61(16)
O4 Yb1 Yb2 O1 . . 40.93(11)
O5 Yb1 Yb2 O1 3_666 . -40.26(11)
O18 Yb1 Yb2 O1 . . 176.30(13)
Yb2 Yb1 Yb2 O1 3_666 . 0.0
Yb3 Yb1 Yb2 O1 3_666 . -55.911(7)
Yb3 Yb1 Yb2 O1 . . 54.669(7)
O3 Yb1 Yb2 Yb3 . 3_666 -48.04(17)
O2 Yb1 Yb2 Yb3 . 3_666 158.65(17)
O9 Yb1 Yb2 Yb3 . 3_666 174.7(3)
O6 Yb1 Yb2 Yb3 . 3_666 -60.70(16)
O4 Yb1 Yb2 Yb3 . 3_666 96.84(11)
O5 Yb1 Yb2 Yb3 3_666 3_666 15.65(11)
O18 Yb1 Yb2 Yb3 . 3_666 -127.78(13)
O1 Yb1 Yb2 Yb3 . 3_666 55.911(7)
Yb2 Yb1 Yb2 Yb3 3_666 3_666 55.911(7)
Yb3 Yb1 Yb2 Yb3 . 3_666 110.579(8)
O3 Yb1 Yb2 Yb1 . 3_666 -103.95(17)
O2 Yb1 Yb2 Yb1 . 3_666 102.74(17)
O9 Yb1 Yb2 Yb1 . 3_666 118.8(3)
O6 Yb1 Yb2 Yb1 . 3_666 -116.61(16)
O4 Yb1 Yb2 Yb1 . 3_666 40.93(11)
O5 Yb1 Yb2 Yb1 3_666 3_666 -40.26(11)
O18 Yb1 Yb2 Yb1 . 3_666 176.30(13)
O1 Yb1 Yb2 Yb1 . 3_666 0.0
Yb2 Yb1 Yb2 Yb1 3_666 3_666 0.0
Yb3 Yb1 Yb2 Yb1 3_666 3_666 -55.911(7)
Yb3 Yb1 Yb2 Yb1 . 3_666 54.669(7)
O3 Yb1 Yb2 Yb3 . . -158.62(17)
O2 Yb1 Yb2 Yb3 . . 48.07(17)
O9 Yb1 Yb2 Yb3 . . 64.1(3)
O6 Yb1 Yb2 Yb3 . . -171.28(16)
O4 Yb1 Yb2 Yb3 . . -13.74(11)
O5 Yb1 Yb2 Yb3 3_666 . -94.93(11)
O18 Yb1 Yb2 Yb3 . . 121.64(13)
O1 Yb1 Yb2 Yb3 . . -54.669(7)
Yb2 Yb1 Yb2 Yb3 3_666 . -54.669(7)
Yb3 Yb1 Yb2 Yb3 3_666 . -110.579(8)
Yb2 O4 Yb3 O3 3_666 3_666 -17.45(16)
Yb1 O4 Yb3 O3 . 3_666 -114.35(18)
Yb2 O4 Yb3 O5 3_666 . 51.0(3)
Yb1 O4 Yb3 O5 . . -45.9(3)
Yb2 O4 Yb3 O2 3_666 . 115.40(17)
Yb1 O4 Yb3 O2 . . 18.51(16)
Yb2 O4 Yb3 O19 3_666 . -170.87(17)
Yb1 O4 Yb3 O19 . . 92.23(18)
Yb2 O4 Yb3 O13 3_666 3_766 -96.5(3)
Yb1 O4 Yb3 O13 . 3_766 166.6(3)
Yb2 O4 Yb3 O20 3_666 . -98.51(19)
Yb1 O4 Yb3 O20 . . 164.6(2)
Yb2 O4 Yb3 O1 3_666 . 48.72(10)
Yb1 O4 Yb3 O1 . . -48.18(10)
Yb1 O4 Yb3 Yb2 . 3_666 -96.90(18)
Yb2 O4 Yb3 Yb1 3_666 3_666 18.59(14)
Yb1 O4 Yb3 Yb1 . 3_666 -78.31(14)
Yb2 O4 Yb3 Yb2 3_666 . 78.64(13)
Yb1 O4 Yb3 Yb2 . . -18.26(14)
Yb2 O4 Yb3 Yb1 3_666 . 96.90(18)
Yb2 O5 Yb3 O3 . 3_666 114.23(18)
Yb1 O5 Yb3 O3 3_666 3_666 17.07(15)
Yb2 O5 Yb3 O4 . . 45.1(3)
Yb1 O5 Yb3 O4 3_666 . -52.1(2)
Yb2 O5 Yb3 O2 . . -19.07(16)
Yb1 O5 Yb3 O2 3_666 . -116.23(17)
Yb2 O5 Yb3 O19 . . -86.9(2)
Yb1 O5 Yb3 O19 3_666 . 175.90(16)
Yb2 O5 Yb3 O13 . 3_766 -151.7(2)
Yb1 O5 Yb3 O13 3_666 3_766 111.18(19)
Yb2 O5 Yb3 O20 . . 170.9(2)
Yb1 O5 Yb3 O20 3_666 . 73.7(3)
Yb2 O5 Yb3 O1 . . 47.42(10)
Yb1 O5 Yb3 O1 3_666 . -49.75(9)
Yb2 O5 Yb3 Yb2 . 3_666 76.69(14)
Yb1 O5 Yb3 Yb2 3_666 3_666 -20.47(14)
Yb2 O5 Yb3 Yb1 . 3_666 97.17(18)
Yb1 O5 Yb3 Yb2 3_666 . -97.17(18)
Yb2 O5 Yb3 Yb1 . . 16.63(15)
Yb1 O5 Yb3 Yb1 3_666 . -80.53(12)
Yb1 O2 Yb3 O3 . 3_666 49.3(2)
Yb2 O2 Yb3 O3 . 3_666 -48.0(2)
Yb1 O2 Yb3 O4 . . -18.94(16)
Yb2 O2 Yb3 O4 . . -116.29(18)
Yb1 O2 Yb3 O5 . . 116.01(18)
Yb2 O2 Yb3 O5 . . 18.66(15)
Yb1 O2 Yb3 O19 . . -121.8(2)
Yb2 O2 Yb3 O19 . . 140.9(2)
Yb1 O2 Yb3 O13 . 3_766 -178.44(16)
Yb2 O2 Yb3 O13 . 3_766 84.2(2)
Yb1 O2 Yb3 O20 . . -73.0(3)
Yb2 O2 Yb3 O20 . . -170.33(19)
Yb1 O2 Yb3 O1 . . 48.80(10)
Yb2 O2 Yb3 O1 . . -48.55(10)
Yb1 O2 Yb3 Yb2 . 3_666 18.39(14)
Yb2 O2 Yb3 Yb2 . 3_666 -78.96(13)
Yb1 O2 Yb3 Yb1 . 3_666 78.47(13)
Yb2 O2 Yb3 Yb1 . 3_666 -18.88(14)
Yb1 O2 Yb3 Yb2 . . 97.35(19)
Yb2 O2 Yb3 Yb1 . . -97.35(19)
Yb2 O1 Yb3 O3 3_666 3_666 46.23(12)
Yb2 O1 Yb3 O3 . 3_666 -133.77(12)
Yb1 O1 Yb3 O3 3_666 3_666 -43.51(12)
Yb1 O1 Yb3 O3 . 3_666 136.49(12)
Yb3 O1 Yb3 O3 3_666 3_666 17E1(10)
Yb2 O1 Yb3 O4 3_666 . -45.58(13)
Yb2 O1 Yb3 O4 . . 134.42(13)
Yb1 O1 Yb3 O4 3_666 . -135.32(13)
Yb1 O1 Yb3 O4 . . 44.68(13)
Yb3 O1 Yb3 O4 3_666 . 8E1(10)
Yb2 O1 Yb3 O5 3_666 . 136.40(13)
Yb2 O1 Yb3 O5 . . -43.60(13)
Yb1 O1 Yb3 O5 3_666 . 46.66(12)
Yb1 O1 Yb3 O5 . . -133.34(12)
Yb3 O1 Yb3 O5 3_666 . -10E1(10)
Yb2 O1 Yb3 O2 3_666 . -134.23(12)
Yb2 O1 Yb3 O2 . . 45.77(12)
Yb1 O1 Yb3 O2 3_666 . 136.03(12)
Yb1 O1 Yb3 O2 . . -43.97(12)
Yb3 O1 Yb3 O2 3_666 . -1E1(10)
Yb2 O1 Yb3 O19 3_666 . -120.1(2)
Yb2 O1 Yb3 O19 . . 59.9(2)
Yb1 O1 Yb3 O19 3_666 . 150.1(2)
Yb1 O1 Yb3 O19 . . -29.9(2)
Yb3 O1 Yb3 O19 3_666 . 0E1(10)
Yb2 O1 Yb3 O13 3_666 3_766 107.4(2)
Yb2 O1 Yb3 O13 . 3_766 -72.6(2)
Yb1 O1 Yb3 O13 3_666 3_766 17.7(2)
Yb1 O1 Yb3 O13 . 3_766 -162.3(2)
Yb3 O1 Yb3 O13 3_666 3_766 -13E1(10)
Yb2 O1 Yb3 O20 3_666 . -2.22(17)
Yb2 O1 Yb3 O20 . . 177.78(17)
Yb1 O1 Yb3 O20 3_666 . -91.96(17)
Yb1 O1 Yb3 O20 . . 88.04(17)
Yb3 O1 Yb3 O20 3_666 . 12E1(10)
Yb2 O1 Yb3 Yb2 . 3_666 180.0
Yb1 O1 Yb3 Yb2 3_666 3_666 -89.742(9)
Yb1 O1 Yb3 Yb2 . 3_666 90.258(9)
Yb3 O1 Yb3 Yb2 3_666 3_666 12E1(10)
Yb2 O1 Yb3 Yb1 3_666 3_666 89.742(9)
Yb2 O1 Yb3 Yb1 . 3_666 -90.258(9)
Yb1 O1 Yb3 Yb1 . 3_666 180.0
Yb3 O1 Yb3 Yb1 3_666 3_666 -15E1(10)
Yb2 O1 Yb3 Yb2 3_666 . 180.0
Yb1 O1 Yb3 Yb2 3_666 . 90.258(9)
Yb1 O1 Yb3 Yb2 . . -89.742(9)
Yb3 O1 Yb3 Yb2 3_666 . -6E1(10)
Yb2 O1 Yb3 Yb1 3_666 . -90.258(9)
Yb2 O1 Yb3 Yb1 . . 89.742(9)
Yb1 O1 Yb3 Yb1 3_666 . 180.0
Yb3 O1 Yb3 Yb1 3_666 . 3E1(10)
O5 Yb2 Yb3 O3 . 3_666 -64.7(2)
O4 Yb2 Yb3 O3 3_666 3_666 0.36(16)
O7 Yb2 Yb3 O3 1_655 3_666 -154.40(18)
O3 Yb2 Yb3 O3 . 3_666 81.87(16)
O2 Yb2 Yb3 O3 . 3_666 144.3(2)
O15 Yb2 Yb3 O3 . 3_666 145.4(4)
O12 Yb2 Yb3 O3 . 3_666 -79.54(18)
O1 Yb2 Yb3 O3 . 3_666 41.16(11)
Yb1 Yb2 Yb3 O3 . 3_666 95.91(11)
Yb3 Yb2 Yb3 O3 3_666 3_666 41.16(11)
Yb1 Yb2 Yb3 O3 3_666 3_666 -13.89(11)
O5 Yb2 Yb3 O4 . . -146.6(2)
O4 Yb2 Yb3 O4 3_666 . -81.58(17)
O7 Yb2 Yb3 O4 1_655 . 123.67(18)
O3 Yb2 Yb3 O4 . . -0.07(16)
O2 Yb2 Yb3 O4 . . 62.3(2)
O15 Yb2 Yb3 O4 . . 63.4(4)
O12 Yb2 Yb3 O4 . . -161.48(18)
O1 Yb2 Yb3 O4 . . -40.78(12)
Yb1 Yb2 Yb3 O4 . . 13.97(12)
Yb3 Yb2 Yb3 O4 3_666 . -40.78(12)
Yb1 Yb2 Yb3 O4 3_666 . -95.83(12)
O4 Yb2 Yb3 O5 3_666 . 65.0(2)
O7 Yb2 Yb3 O5 1_655 . -89.7(2)
O3 Yb2 Yb3 O5 . . 146.6(2)
O2 Yb2 Yb3 O5 . . -151.0(2)
O15 Yb2 Yb3 O5 . . -149.9(5)
O12 Yb2 Yb3 O5 . . -14.8(2)
O1 Yb2 Yb3 O5 . . 105.85(17)
Yb1 Yb2 Yb3 O5 . . 160.60(17)
Yb3 Yb2 Yb3 O5 3_666 . 105.85(17)
Yb1 Yb2 Yb3 O5 3_666 . 50.80(17)
O5 Yb2 Yb3 O2 . . 151.0(2)
O4 Yb2 Yb3 O2 3_666 . -143.9(2)
O7 Yb2 Yb3 O2 1_655 . 61.3(2)
O3 Yb2 Yb3 O2 . . -62.4(2)
O15 Yb2 Yb3 O2 . . 1.1(5)
O12 Yb2 Yb3 O2 . . 136.2(2)
O1 Yb2 Yb3 O2 . . -103.11(17)
Yb1 Yb2 Yb3 O2 . . -48.36(17)
Yb3 Yb2 Yb3 O2 3_666 . -103.11(17)
Yb1 Yb2 Yb3 O2 3_666 . -158.16(17)
O5 Yb2 Yb3 O19 . . 110.7(2)
O4 Yb2 Yb3 O19 3_666 . 175.77(18)
O7 Yb2 Yb3 O19 1_655 . 21.0(2)
O3 Yb2 Yb3 O19 . . -102.72(18)
O2 Yb2 Yb3 O19 . . -40.3(2)
O15 Yb2 Yb3 O19 . . -39.2(4)
O12 Yb2 Yb3 O19 . . 95.87(19)
O1 Yb2 Yb3 O19 . . -143.43(14)
Yb1 Yb2 Yb3 O19 . . -88.68(14)
Yb3 Yb2 Yb3 O19 3_666 . -143.43(14)
Yb1 Yb2 Yb3 O19 3_666 . 161.52(14)
O5 Yb2 Yb3 O13 . 3_766 30.6(2)
O4 Yb2 Yb3 O13 3_666 3_766 95.61(19)
O7 Yb2 Yb3 O13 1_655 3_766 -59.1(2)
O3 Yb2 Yb3 O13 . 3_766 177.12(18)
O2 Yb2 Yb3 O13 . 3_766 -120.5(2)
O15 Yb2 Yb3 O13 . 3_766 -119.4(4)
O12 Yb2 Yb3 O13 . 3_766 15.7(2)
O1 Yb2 Yb3 O13 . 3_766 136.41(15)
Yb1 Yb2 Yb3 O13 . 3_766 -168.84(15)
Yb3 Yb2 Yb3 O13 3_666 3_766 136.41(15)
Yb1 Yb2 Yb3 O13 3_666 3_766 81.36(15)
O5 Yb2 Yb3 O20 . . -121.1(12)
O4 Yb2 Yb3 O20 3_666 . -56.1(12)
O7 Yb2 Yb3 O20 1_655 . 149.2(12)
O3 Yb2 Yb3 O20 . . 25.4(12)
O2 Yb2 Yb3 O20 . . 87.8(12)
O15 Yb2 Yb3 O20 . . 88.9(12)
O12 Yb2 Yb3 O20 . . -136.0(12)
O1 Yb2 Yb3 O20 . . -15.3(12)
Yb1 Yb2 Yb3 O20 . . 39.5(12)
Yb3 Yb2 Yb3 O20 3_666 . -15.3(12)
Yb1 Yb2 Yb3 O20 3_666 . -70.3(12)
O5 Yb2 Yb3 O1 . . -105.85(17)
O4 Yb2 Yb3 O1 3_666 . -40.80(11)
O7 Yb2 Yb3 O1 1_655 . 164.45(14)
O3 Yb2 Yb3 O1 . . 40.71(11)
O2 Yb2 Yb3 O1 . . 103.11(16)
O15 Yb2 Yb3 O1 . . 104.2(4)
O12 Yb2 Yb3 O1 . . -120.70(13)
Yb1 Yb2 Yb3 O1 . . 54.751(7)
Yb3 Yb2 Yb3 O1 3_666 . 0.0
Yb1 Yb2 Yb3 O1 3_666 . -55.047(7)
O5 Yb2 Yb3 Yb2 . 3_666 -105.85(17)
O4 Yb2 Yb3 Yb2 3_666 3_666 -40.80(11)
O7 Yb2 Yb3 Yb2 1_655 3_666 164.45(14)
O3 Yb2 Yb3 Yb2 . 3_666 40.71(11)
O2 Yb2 Yb3 Yb2 . 3_666 103.11(16)
O15 Yb2 Yb3 Yb2 . 3_666 104.2(4)
O12 Yb2 Yb3 Yb2 . 3_666 -120.70(13)
O1 Yb2 Yb3 Yb2 . 3_666 0.0
Yb1 Yb2 Yb3 Yb2 . 3_666 54.751(7)
Yb3 Yb2 Yb3 Yb2 3_666 3_666 0.0
Yb1 Yb2 Yb3 Yb2 3_666 3_666 -55.047(7)
O5 Yb2 Yb3 Yb1 . 3_666 -50.80(17)
O4 Yb2 Yb3 Yb1 3_666 3_666 14.25(11)
O7 Yb2 Yb3 Yb1 1_655 3_666 -140.51(14)
O3 Yb2 Yb3 Yb1 . 3_666 95.76(11)
O2 Yb2 Yb3 Yb1 . 3_666 158.16(16)
O15 Yb2 Yb3 Yb1 . 3_666 159.3(4)
O12 Yb2 Yb3 Yb1 . 3_666 -65.65(13)
O1 Yb2 Yb3 Yb1 . 3_666 55.047(7)
Yb1 Yb2 Yb3 Yb1 . 3_666 109.799(8)
Yb3 Yb2 Yb3 Yb1 3_666 3_666 55.047(7)
O5 Yb2 Yb3 Yb1 . . -160.60(17)
O4 Yb2 Yb3 Yb1 3_666 . -95.55(12)
O7 Yb2 Yb3 Yb1 1_655 . 109.70(14)
O3 Yb2 Yb3 Yb1 . . -14.04(11)
O2 Yb2 Yb3 Yb1 . . 48.36(16)
O15 Yb2 Yb3 Yb1 . . 49.5(4)
O12 Yb2 Yb3 Yb1 . . -175.45(13)
O1 Yb2 Yb3 Yb1 . . -54.751(7)
Yb3 Yb2 Yb3 Yb1 3_666 . -54.751(7)
Yb1 Yb2 Yb3 Yb1 3_666 . -109.799(8)
O3 Yb1 Yb3 O3 . 3_666 -78.68(18)
O2 Yb1 Yb3 O3 . 3_666 -143.2(2)
O9 Yb1 Yb3 O3 . 3_666 117.8(2)
O6 Yb1 Yb3 O3 . 3_666 47.1(6)
O4 Yb1 Yb3 O3 . 3_666 65.6(2)
O5 Yb1 Yb3 O3 3_666 3_666 2.07(16)
O18 Yb1 Yb3 O3 . 3_666 -160.3(2)
O1 Yb1 Yb3 O3 . 3_666 -39.04(11)
Yb2 Yb1 Yb3 O3 . 3_666 -93.10(11)
Yb2 Yb1 Yb3 O3 3_666 3_666 15.44(11)
Yb3 Yb1 Yb3 O3 3_666 3_666 -39.04(11)
O3 Yb1 Yb3 O4 . . -144.3(2)
O2 Yb1 Yb3 O4 . . 151.2(2)
O9 Yb1 Yb3 O4 . . 52.2(2)
O6 Yb1 Yb3 O4 . . -18.5(7)
O5 Yb1 Yb3 O4 3_666 . -63.5(2)
O18 Yb1 Yb3 O4 . . 134.1(2)
O1 Yb1 Yb3 O4 . . -104.63(17)
Yb2 Yb1 Yb3 O4 . . -158.70(17)
Yb2 Yb1 Yb3 O4 3_666 . -50.16(17)
Yb3 Yb1 Yb3 O4 3_666 . -104.63(17)
O3 Yb1 Yb3 O5 . . 1.88(16)
O2 Yb1 Yb3 O5 . . -62.7(2)
O9 Yb1 Yb3 O5 . . -161.6(2)
O6 Yb1 Yb3 O5 . . 127.6(6)
O4 Yb1 Yb3 O5 . . 146.2(2)
O5 Yb1 Yb3 O5 3_666 . 82.64(16)
O18 Yb1 Yb3 O5 . . -79.7(2)
O1 Yb1 Yb3 O5 . . 41.53(11)
Yb2 Yb1 Yb3 O5 . . -12.54(11)
Yb2 Yb1 Yb3 O5 3_666 . 96.00(11)
Yb3 Yb1 Yb3 O5 3_666 . 41.52(11)
O3 Yb1 Yb3 O2 . . 64.6(2)
O9 Yb1 Yb3 O2 . . -98.9(3)
O6 Yb1 Yb3 O2 . . -169.7(7)
O4 Yb1 Yb3 O2 . . -151.2(2)
O5 Yb1 Yb3 O2 3_666 . 145.3(2)
O18 Yb1 Yb3 O2 . . -17.0(2)
O1 Yb1 Yb3 O2 . . 104.21(17)
Yb2 Yb1 Yb3 O2 . . 50.15(17)
Yb2 Yb1 Yb3 O2 3_666 . 158.69(17)
Yb3 Yb1 Yb3 O2 3_666 . 104.21(17)
O3 Yb1 Yb3 O19 . . 121.18(18)
O2 Yb1 Yb3 O19 . . 56.6(2)
O9 Yb1 Yb3 O19 . . -42.3(2)
O6 Yb1 Yb3 O19 . . -113.1(7)
O4 Yb1 Yb3 O19 . . -94.5(2)
O5 Yb1 Yb3 O19 3_666 . -158.06(17)
O18 Yb1 Yb3 O19 . . 39.6(2)
O1 Yb1 Yb3 O19 . . 160.83(13)
Yb2 Yb1 Yb3 O19 . . 106.76(13)
Yb2 Yb1 Yb3 O19 3_666 . -144.70(13)
Yb3 Yb1 Yb3 O19 3_666 . 160.83(13)
O3 Yb1 Yb3 O13 . 3_766 70.3(6)
O2 Yb1 Yb3 O13 . 3_766 5.8(6)
O9 Yb1 Yb3 O13 . 3_766 -93.1(6)
O6 Yb1 Yb3 O13 . 3_766 -163.9(8)
O4 Yb1 Yb3 O13 . 3_766 -145.4(6)
O5 Yb1 Yb3 O13 3_666 3_766 151.1(6)
O18 Yb1 Yb3 O13 . 3_766 -11.3(6)
O1 Yb1 Yb3 O13 . 3_766 110.0(6)
Yb2 Yb1 Yb3 O13 . 3_766 55.9(6)
Yb2 Yb1 Yb3 O13 3_666 3_766 164.5(6)
Yb3 Yb1 Yb3 O13 3_666 3_766 110.0(6)
O3 Yb1 Yb3 O20 . . -161.01(19)
O2 Yb1 Yb3 O20 . . 134.4(2)
O9 Yb1 Yb3 O20 . . 35.5(2)
O6 Yb1 Yb3 O20 . . -35.3(7)
O4 Yb1 Yb3 O20 . . -16.7(2)
O5 Yb1 Yb3 O20 3_666 . -80.25(18)
O18 Yb1 Yb3 O20 . . 117.4(2)
O1 Yb1 Yb3 O20 . . -121.36(15)
Yb2 Yb1 Yb3 O20 . . -175.42(15)
Yb2 Yb1 Yb3 O20 3_666 . -66.89(15)
Yb3 Yb1 Yb3 O20 3_666 . -121.36(15)
O3 Yb1 Yb3 O1 . . -39.65(12)
O2 Yb1 Yb3 O1 . . -104.21(17)
O9 Yb1 Yb3 O1 . . 156.87(18)
O6 Yb1 Yb3 O1 . . 86.1(6)
O4 Yb1 Yb3 O1 . . 104.63(17)
O5 Yb1 Yb3 O1 3_666 . 41.11(11)
O18 Yb1 Yb3 O1 . . -121.26(16)
Yb2 Yb1 Yb3 O1 . . -54.062(7)
Yb2 Yb1 Yb3 O1 3_666 . 54.473(7)
Yb3 Yb1 Yb3 O1 3_666 . 0.0
O3 Yb1 Yb3 Yb2 . 3_666 -94.12(12)
O2 Yb1 Yb3 Yb2 . 3_666 -158.69(17)
O9 Yb1 Yb3 Yb2 . 3_666 102.40(18)
O6 Yb1 Yb3 Yb2 . 3_666 31.6(6)
O4 Yb1 Yb3 Yb2 . 3_666 50.16(17)
O5 Yb1 Yb3 Yb2 3_666 3_666 -13.36(11)
O18 Yb1 Yb3 Yb2 . 3_666 -175.73(16)
O1 Yb1 Yb3 Yb2 . 3_666 -54.473(7)
Yb2 Yb1 Yb3 Yb2 . 3_666 -108.535(8)
Yb3 Yb1 Yb3 Yb2 3_666 3_666 -54.473(7)
O3 Yb1 Yb3 Yb1 . 3_666 -39.65(12)
O2 Yb1 Yb3 Yb1 . 3_666 -104.21(17)
O9 Yb1 Yb3 Yb1 . 3_666 156.87(18)
O6 Yb1 Yb3 Yb1 . 3_666 86.1(6)
O4 Yb1 Yb3 Yb1 . 3_666 104.63(17)
O5 Yb1 Yb3 Yb1 3_666 3_666 41.11(11)
O18 Yb1 Yb3 Yb1 . 3_666 -121.26(16)
O1 Yb1 Yb3 Yb1 . 3_666 0.0
Yb2 Yb1 Yb3 Yb1 . 3_666 -54.062(7)
Yb2 Yb1 Yb3 Yb1 3_666 3_666 54.473(7)
Yb3 Yb1 Yb3 Yb1 3_666 3_666 0.0
O3 Yb1 Yb3 Yb2 . . 14.41(12)
O2 Yb1 Yb3 Yb2 . . -50.15(17)
O9 Yb1 Yb3 Yb2 . . -149.07(18)
O6 Yb1 Yb3 Yb2 . . 140.1(6)
O4 Yb1 Yb3 Yb2 . . 158.70(17)
O5 Yb1 Yb3 Yb2 3_666 . 95.17(11)
O18 Yb1 Yb3 Yb2 . . -67.20(16)
O1 Yb1 Yb3 Yb2 . . 54.062(7)
Yb2 Yb1 Yb3 Yb2 3_666 . 108.535(8)
Yb3 Yb1 Yb3 Yb2 3_666 . 54.062(7)
