#------------------------------------------------------------------------------
#$Date: 2019-11-23 06:11:59 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232303 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/73/4347397.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_4347397
loop_
_publ_author_name
'Giansiracusa, Marcus J.'
'Vonci, Michele'
'Van den Heuvel, Willem'
'Gable, Robert W.'
'Moubaraki, Boujemaa'
'Murray, Keith S.'
'Yu, Dehong'
'Mole, Richard A.'
'Soncini, Alessandro'
'Boskovic, Colette'
_publ_section_title
;
 Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior,
 Inelastic Neutron Scattering, and Ab Initio Studies.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5201
_journal_page_last               5214
_journal_paper_doi               10.1021/acs.inorgchem.6b00108
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C Er3 Na11 O103.55 P2 W18, 12.45(O)'
_chemical_formula_sum            'C H84 Er3 Na11 O116 P2 W18'
_chemical_formula_weight         6078.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_creation_date             2015-12-15
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                90
_cell_angle_beta                 111.6682(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.37028(19)
_cell_length_b                   26.0440(2)
_cell_length_c                   23.4126(3)
_cell_measurement_reflns_used    35551
_cell_measurement_temperature    135(7)
_cell_measurement_theta_max      75.6510
_cell_measurement_theta_min      3.2080
_cell_volume                     9843.2(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      135(7)
_diffrn_detector_area_resol_mean 10.2273
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -94.00  -13.00   1.0000    5.6400
omega____ theta____ kappa____ phi______ frames
    -      -40.9342  125.0000 -150.0000 81

#__ type_ start__ end____ width___ exp.time_
  2 omega  -42.00   27.00   1.0000    5.6400
omega____ theta____ kappa____ phi______ frames
    -      -40.9342   37.0000 -150.0000 69

#__ type_ start__ end____ width___ exp.time_
  3 omega -120.00   -7.00   1.0000    5.6400
omega____ theta____ kappa____ phi______ frames
    -      -40.9342  -77.0000   90.0000 113

#__ type_ start__ end____ width___ exp.time_
  4 omega  -10.00   16.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      -61.5000   30.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
  5 omega  -55.00  -27.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      -61.5000   45.0000   90.0000 28

#__ type_ start__ end____ width___ exp.time_
  6 omega  -34.00   14.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      -61.5000   77.0000  -30.0000 48

#__ type_ start__ end____ width___ exp.time_
  7 omega -109.00  -83.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      -61.5000 -111.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
  8 omega -108.00  -82.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      -61.5000  -94.0000  -30.0000 26

#__ type_ start__ end____ width___ exp.time_
  9 omega   82.00  178.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063   30.0000  150.0000 96

#__ type_ start__ end____ width___ exp.time_
 10 omega   27.00  103.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -94.0000   30.0000 76

#__ type_ start__ end____ width___ exp.time_
 11 omega   42.00   90.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -30.0000  -30.0000 48

#__ type_ start__ end____ width___ exp.time_
 12 omega   80.00  177.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063   30.0000 -120.0000 97

#__ type_ start__ end____ width___ exp.time_
 13 omega   36.00   78.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -45.0000 -150.0000 42

#__ type_ start__ end____ width___ exp.time_
 14 omega   40.00   67.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063 -111.0000  120.0000 27

#__ type_ start__ end____ width___ exp.time_
 15 omega   54.00  106.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -94.0000  -60.0000 52

#__ type_ start__ end____ width___ exp.time_
 16 omega   58.00   84.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -30.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
 17 omega   37.00   79.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -30.0000 -120.0000 42

#__ type_ start__ end____ width___ exp.time_
 18 omega   81.00  115.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063 -111.0000  120.0000 34

#__ type_ start__ end____ width___ exp.time_
 19 omega   54.00  108.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -94.0000 -150.0000 54

#__ type_ start__ end____ width___ exp.time_
 20 omega   38.00   81.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -45.0000  120.0000 43

#__ type_ start__ end____ width___ exp.time_
 21 omega   39.00   80.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -30.0000  150.0000 41

#__ type_ start__ end____ width___ exp.time_
 22 omega   38.00   85.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063 -111.0000    0.0000 47

#__ type_ start__ end____ width___ exp.time_
 23 omega   49.00  116.00   1.0000   22.5500
omega____ theta____ kappa____ phi______ frames
    -      110.2063  -61.0000   60.0000 67
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0411228000
_diffrn_orient_matrix_UB_12      -0.0330458000
_diffrn_orient_matrix_UB_13      0.0354054000
_diffrn_orient_matrix_UB_21      -0.0632700000
_diffrn_orient_matrix_UB_22      0.0431418000
_diffrn_orient_matrix_UB_23      -0.0060858000
_diffrn_orient_matrix_UB_31      -0.0584343000
_diffrn_orient_matrix_UB_32      -0.0235435000
_diffrn_orient_matrix_UB_33      -0.0609192000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            71768
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.864
_diffrn_reflns_theta_min         3.221
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    44.262
_exptl_absorpt_correction_T_max  0.716
_exptl_absorpt_correction_T_min  0.271
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
;
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    4.102
_exptl_crystal_description       'Hexagonal-faced rod'
_exptl_crystal_F_000             10820
_exptl_crystal_size_max          0.0919
_exptl_crystal_size_mid          0.0377
_exptl_crystal_size_min          0.0171
_refine_diff_density_max         2.483
_refine_diff_density_min         -1.815
_refine_diff_density_rms         0.285
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1304
_refine_ls_number_reflns         20109
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0313P)²+115.5597P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0748
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19115
_reflns_number_total             20109
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b00108_si_002.cif
_cod_data_source_block           mg1_er_p_na5absspheerical
_cod_original_cell_volume        9843.25(19)
_cod_database_code               4347397
_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.
;
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(O5) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.01
Uanis(O8) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O10) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O26) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O91) = Uanis(O91A)
Uanis(O92) = Uanis(O92A)
Uanis(O93) = Uanis(O93A)
Uiso(O95) = Uiso(O95A)
Uiso(Na9) = Uiso(Na9A)
Uiso(Na8) = Uiso(Na8A)
2. Others
 Sof(O90A)=1-FVAR(1)
 Sof(O90)=FVAR(1)
 Sof(O91A)=1-FVAR(2)
 Sof(O91)=FVAR(2)
 Sof(O92A)=1-FVAR(3)
 Sof(O92)=FVAR(3)
 Sof(O93A)=1-FVAR(4)
 Sof(O93)=FVAR(4)
 Sof(O95A)=1-FVAR(5)
 Sof(O95)=FVAR(5)
 Sof(Na9A)=1-FVAR(6)
 Sof(Na9)=FVAR(6)
 Sof(Na8A)=1-FVAR(7)
 Sof(Na8)=FVAR(7)
 Sof(O107)=1-FVAR(8)
 Sof(O89)=FVAR(8)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W15 W -0.10443(2) 0.62021(2) 0.31932(2) 0.00783(7) Uani 1 1 d . . . .
W17 W -0.38930(2) 0.53919(2) 0.25728(2) 0.00591(6) Uani 1 1 d . . . .
W6 W 0.12231(2) 0.40880(2) 0.11242(2) 0.00560(6) Uani 1 1 d . . . .
W12 W -0.23772(2) 0.53263(2) 0.05691(2) 0.00516(6) Uani 1 1 d . . . .
W5 W 0.07450(2) 0.28821(2) 0.32155(2) 0.00671(7) Uani 1 1 d . . . .
W11 W -0.28598(2) 0.41228(2) 0.26819(2) 0.00646(6) Uani 1 1 d . . . .
W10 W -0.31346(2) 0.41996(2) 0.11700(2) 0.00545(6) Uani 1 1 d . . . .
W7 W 0.18517(2) 0.39405(2) 0.42702(2) 0.00610(6) Uani 1 1 d . . . .
W4 W 0.04651(2) 0.29468(2) 0.17098(2) 0.00620(6) Uani 1 1 d . . . .
W1 W 0.27282(2) 0.31217(2) 0.21143(2) 0.00662(6) Uani 1 1 d . . . .
W8 W 0.22597(2) 0.50347(2) 0.21109(2) 0.00619(6) Uani 1 1 d . . . .
W13 W -0.17547(2) 0.51772(2) 0.37356(2) 0.00716(7) Uani 1 1 d . . . .
W3 W 0.37617(2) 0.40772(2) 0.30994(2) 0.00759(7) Uani 1 1 d . . . .
W14 W -0.13796(2) 0.62713(2) 0.15350(2) 0.00643(6) Uani 1 1 d . . . .
W18 W -0.31811(2) 0.64271(2) 0.20217(2) 0.00596(6) Uani 1 1 d . . . .
W16 W -0.41893(2) 0.54614(2) 0.10487(2) 0.00538(6) Uani 1 1 d . . . .
W2 W 0.30271(2) 0.30487(2) 0.36386(2) 0.00712(7) Uani 1 1 d . . . .
W9 W 0.25884(2) 0.49547(2) 0.37642(2) 0.00653(6) Uani 1 1 d . . . .
Er3 Er -0.00911(3) 0.51171(2) 0.14550(2) 0.00611(8) Uani 1 1 d . . . .
Er2 Er 0.03212(3) 0.50236(2) 0.35971(2) 0.00649(8) Uani 1 1 d . . . .
Er1 Er -0.10862(3) 0.36456(2) 0.22336(2) 0.00653(8) Uani 1 1 d . . . .
P1 P -0.21767(11) 0.52381(6) 0.21347(8) 0.0054(3) Uani 1 1 d . . . .
P2 P 0.16008(11) 0.39430(6) 0.27157(8) 0.0061(3) Uani 1 1 d . . . .
O52 O 0.2637(3) 0.44909(19) 0.4416(2) 0.0090(10) Uani 1 1 d . . . .
O66 O 0.1966(3) 0.27913(18) 0.3367(2) 0.0075(10) Uani 1 1 d . . . .
O41 O 0.1251(3) 0.53434(18) 0.1829(2) 0.0075(10) Uani 1 1 d . . . .
O27 O -0.1813(3) 0.54265(18) 0.1663(2) 0.0076(10) Uani 1 1 d . . . .
O45 O -0.0543(3) 0.31953(19) 0.1637(2) 0.0094(10) Uani 1 1 d . . . .
O73 O 0.3574(3) 0.25986(19) 0.4196(3) 0.0117(10) Uani 1 1 d . . . .
O7 O -0.2482(3) 0.64307(19) 0.1582(2) 0.0094(10) Uani 1 1 d . . . .
O54 O 0.1180(3) 0.33872(19) 0.3848(2) 0.0099(10) Uani 1 1 d . . . .
O28 O -0.1589(3) 0.53718(18) 0.2789(2) 0.0064(9) Uani 1 1 d . . . .
O43 O 0.0990(3) 0.43552(18) 0.4185(2) 0.0081(10) Uani 1 1 d . . . .
O35 O 0.0078(3) 0.5608(2) 0.0637(2) 0.0112(10) Uani 1 1 d . . . .
O47 O 0.1177(3) 0.39861(19) 0.0383(2) 0.0090(10) Uani 1 1 d . . . .
O62 O 0.2440(3) 0.36574(18) 0.2839(2) 0.0064(9) Uani 1 1 d . . . .
O44 O -0.0275(3) 0.31385(19) 0.2983(2) 0.0078(10) Uani 1 1 d . . . .
O57 O 0.0179(3) 0.24551(19) 0.1179(3) 0.0110(10) Uani 1 1 d . . . .
O33 O -0.2228(3) 0.37929(18) 0.1416(2) 0.0067(9) Uani 1 1 d . . . .
O24 O -0.3798(3) 0.38403(19) 0.0578(3) 0.0107(10) Uani 1 1 d . . . .
O30 O -0.0096(3) 0.58440(18) 0.3437(2) 0.0090(10) Uani 1 1 d . . . .
O15 O -0.2036(3) 0.60256(18) 0.0718(2) 0.0080(10) Uani 1 1 d . . . .
O21 O -0.2236(3) 0.4554(2) 0.3332(2) 0.0096(10) Uani 1 1 d . . . .
O61 O 0.0905(3) 0.35431(18) 0.2568(2) 0.0075(10) Uani 1 1 d . . . .
O10 O -0.3014(3) 0.55201(17) 0.2009(2) 0.0048(9) Uani 1 1 d U . . .
O68 O 0.2217(3) 0.36441(19) 0.1546(2) 0.0087(10) Uani 1 1 d . . . .
O48 O 0.1989(3) 0.46534(19) 0.1347(2) 0.0085(10) Uani 1 1 d . . . .
O26 O -0.2338(3) 0.46541(18) 0.2070(2) 0.0052(9) Uani 1 1 d U . . .
O8 O -0.2256(3) 0.63866(18) 0.2749(2) 0.0088(10) Uani 1 1 d U . . .
O11 O -0.2931(3) 0.54402(19) 0.3256(2) 0.0092(10) Uani 1 1 d . . . .
O14 O -0.2815(3) 0.53268(19) -0.0228(2) 0.0095(10) Uani 1 1 d . . . .
O32 O -0.1967(3) 0.37440(19) 0.2731(2) 0.0101(10) Uani 1 1 d . . . .
O56 O 0.0563(3) 0.25619(19) 0.2446(2) 0.0100(10) Uani 1 1 d . . . .
O40 O -0.0371(3) 0.43490(18) 0.2879(2) 0.0089(10) Uani 1 1 d . . . .
O38 O -0.0571(3) 0.43967(19) 0.1884(2) 0.0083(10) Uani 1 1 d . . . .
O23 O -0.3467(3) 0.39367(19) 0.1834(2) 0.0079(10) Uani 1 1 d . . . .
O6 O -0.4619(3) 0.53791(19) 0.1704(2) 0.0068(9) Uani 1 1 d . . . .
O12 O -0.3927(3) 0.47596(18) 0.1140(2) 0.0077(10) Uani 1 1 d . . . .
O50 O 0.2424(3) 0.51549(19) 0.2939(2) 0.0094(10) Uani 1 1 d . . . .
O64 O 0.3412(3) 0.44736(19) 0.3625(2) 0.0097(10) Uani 1 1 d . . . .
O36 O 0.0872(3) 0.5403(2) 0.4586(2) 0.0113(10) Uani 1 1 d . . . .
O42 O 0.1623(3) 0.52289(19) 0.3708(3) 0.0111(10) Uani 1 1 d . . . .
O70 O 0.3682(3) 0.35623(19) 0.2468(3) 0.0105(10) Uani 1 1 d . . . .
O74 O 0.3141(3) 0.27668(19) 0.2904(2) 0.0102(10) Uani 1 1 d . . . .
O46 O 0.0325(3) 0.44871(19) 0.0982(2) 0.0079(10) Uani 1 1 d . . . .
O51 O 0.3291(3) 0.5405(2) 0.4201(3) 0.0123(11) Uani 1 1 d . . . .
O18 O -0.0728(3) 0.67850(19) 0.3551(3) 0.0127(11) Uani 1 1 d . . . .
O25 O -0.2707(3) 0.46633(19) 0.0749(2) 0.0089(10) Uani 1 1 d . . . .
O29 O -0.0469(3) 0.59247(18) 0.1565(2) 0.0079(10) Uani 1 1 d . . . .
O67 O 0.1682(3) 0.28527(19) 0.1988(2) 0.0093(10) Uani 1 1 d . . . .
O17 O -0.1004(3) 0.63268(19) 0.2403(3) 0.0113(10) Uani 1 1 d . . . .
O4 O -0.4048(3) 0.61761(19) 0.1289(2) 0.0092(10) Uani 1 1 d . . . .
O2 O -0.4657(3) 0.5381(2) 0.2881(2) 0.0103(10) Uani 1 1 d . . . .
O65 O 0.2750(3) 0.35286(19) 0.4115(2) 0.0093(10) Uani 1 1 d . . . .
O63 O 0.3160(3) 0.45165(18) 0.2448(2) 0.0085(10) Uani 1 1 d . . . .
O22 O -0.3338(3) 0.3723(2) 0.3046(3) 0.0125(11) Uani 1 1 d . . . .
O19 O -0.1432(3) 0.58837(19) 0.3775(2) 0.0104(10) Uani 1 1 d . . . .
O59 O 0.1446(3) 0.43105(18) 0.2172(2) 0.0065(9) Uani 1 1 d . . . .
O1 O -0.3462(3) 0.7067(2) 0.2001(3) 0.0122(11) Uani 1 1 d . . . .
O58 O 0.0654(3) 0.34974(19) 0.1253(2) 0.0086(10) Uani 1 1 d . . . .
O37 O -0.1782(3) 0.28185(19) 0.2097(3) 0.0112(10) Uani 1 1 d . . . .
O39 O 0.0083(3) 0.50298(18) 0.2517(2) 0.0079(10) Uani 1 1 d . . . .
O20 O -0.1919(3) 0.5112(2) 0.4422(2) 0.0134(11) Uani 1 1 d . . . .
O60 O 0.1676(3) 0.42474(18) 0.3294(2) 0.0066(9) Uani 1 1 d . . . .
O55 O 0.0691(4) 0.23471(19) 0.3637(3) 0.0125(11) Uani 1 1 d . . . .
O31 O -0.0730(3) 0.4936(2) 0.3932(2) 0.0098(10) Uani 1 1 d . . . .
O9 O -0.3401(3) 0.55506(18) 0.0695(2) 0.0062(9) Uani 1 1 d . . . .
O118 O 0.2121(3) 0.3719(2) 0.5017(2) 0.0117(10) Uani 1 1 d . . . .
O3 O -0.5098(3) 0.5487(2) 0.0426(2) 0.0101(10) Uani 1 1 d . . . .
O71 O 0.4767(3) 0.42710(19) 0.3283(3) 0.0111(10) Uani 1 1 d . . . .
O49 O 0.2860(3) 0.55045(19) 0.1974(2) 0.0098(10) Uani 1 1 d . . . .
O16 O -0.1160(3) 0.6873(2) 0.1334(3) 0.0129(11) Uani 1 1 d . . . .
O72 O 0.3927(3) 0.34992(19) 0.3653(2) 0.0089(10) Uani 1 1 d . . . .
O69 O 0.3099(4) 0.2718(2) 0.1691(3) 0.0138(11) Uani 1 1 d . . . .
O13 O -0.3694(3) 0.46981(19) 0.2493(2) 0.0076(9) Uani 1 1 d . . . .
O34 O -0.1348(3) 0.50891(19) 0.0708(2) 0.0085(10) Uani 1 1 d . . . .
O99 O -0.6160(3) 0.4611(2) 0.1532(3) 0.0127(11) Uani 1 1 d . . . .
O101 O -0.5260(4) 0.3473(2) 0.1806(3) 0.0157(11) Uani 1 1 d . . . .
O102 O -0.5490(3) 0.4082(2) 0.0547(3) 0.0142(11) Uani 1 1 d . . . .
Na1 Na -0.1495(2) 0.24026(12) 0.12628(15) 0.0160(6) Uani 1 1 d . . . .
Na2 Na -0.48493(18) 0.43168(11) 0.16054(14) 0.0122(6) Uani 1 1 d . . . .
Na3 Na -0.1953(2) 0.75724(13) 0.07612(17) 0.0247(8) Uani 1 1 d . . . .
Na4 Na -0.5898(2) 0.31865(12) 0.06934(16) 0.0167(6) Uani 1 1 d . . . .
Na5 Na -0.1335(2) 0.73896(12) 0.41113(16) 0.0181(7) Uani 1 1 d . . . .
Na6 Na 0.4046(2) 0.55293(12) 0.17031(17) 0.0175(7) Uani 1 1 d . . . .
Na7 Na 0.2124(2) 0.61425(12) 0.05059(17) 0.0202(7) Uani 1 1 d . . . .
Na8 Na -0.0865(5) 0.0308(3) 0.0203(4) 0.0374(13) Uiso 0.600(8) 1 d . P A 1
Na8A Na -0.0236(7) -0.0011(4) 0.0146(5) 0.0374(13) Uiso 0.400(8) 1 d . P A 2
Na9 Na 0.5291(5) 0.5032(3) 0.3843(4) 0.0416(14) Uiso 0.648(9) 1 d . P B 1
Na9A Na 0.4739(9) 0.5283(5) 0.3824(7) 0.0416(14) Uiso 0.352(9) 1 d . P B 2
Na10 Na -0.0432(3) 0.1452(2) 0.0927(2) 0.0489(13) Uani 1 1 d . . . .
Na11 Na 0.0249(3) 0.65171(17) 0.1140(2) 0.0351(9) Uani 1 1 d . . . .
O82 O -0.3229(4) 0.7013(3) 0.0405(3) 0.0239(14) Uani 1 1 d . . . .
O108 O -0.0579(4) 0.1759(2) 0.1836(3) 0.0222(13) Uani 1 1 d . . . .
O109 O -0.1502(4) 0.2012(2) 0.0351(3) 0.0220(13) Uani 1 1 d . . . .
O106 O -0.2625(4) 0.2901(2) 0.0662(3) 0.0203(13) Uani 1 1 d . . . .
O80 O -0.1615(6) 0.7249(3) -0.0065(4) 0.044(2) Uani 1 1 d . . . .
O81 O -0.2214(4) 0.7686(2) 0.1692(3) 0.0246(14) Uani 1 1 d . . . .
O79 O -0.0598(6) 0.8061(3) 0.1295(4) 0.042(2) Uani 1 1 d . . . .
O89 O 0.0621(12) 0.6737(7) 0.2809(9) 0.051(5) Uiso 0.52(2) 1 d . P . .
O90 O 0.0473(10) 0.7201(6) 0.1728(8) 0.024(5) Uiso 0.41(2) 1 d . P C 1
O90A O 0.0693(7) 0.7014(4) 0.2104(5) 0.025(3) Uiso 0.59(2) 1 d . P C 2
O91 O -0.2945(10) 0.8200(6) 0.0307(7) 0.0226(18) Uani 0.408(13) 1 d . P D 1
O91A O -0.2455(7) 0.8428(4) 0.0553(5) 0.0226(18) Uani 0.592(13) 1 d . P D 2
O92 O 0.0633(8) 0.0809(5) 0.1487(7) 0.041(3) Uani 0.618(15) 1 d . P E 1
O92A O 0.0905(13) 0.1253(9) 0.1499(11) 0.041(3) Uani 0.382(15) 1 d . P E 2
O93 O -0.5937(14) 0.2239(8) 0.0828(11) 0.026(3) Uani 0.45(2) 1 d . P F 1
O93A O -0.5896(11) 0.2310(6) 0.1100(9) 0.026(3) Uani 0.55(2) 1 d . P F 2
O103 O -0.4779(4) 0.2966(2) 0.0373(3) 0.0205(13) Uani 1 1 d . . . .
O97 O -0.1556(4) 0.7868(2) 0.3224(3) 0.0181(12) Uani 1 1 d . . . .
O100 O -0.7197(4) 0.3507(2) 0.0579(3) 0.0211(13) Uani 1 1 d . . . .
O98 O -0.0813(5) 0.6989(3) 0.5045(4) 0.0389(19) Uani 1 1 d . . . .
O96 O 0.3379(4) 0.5728(3) 0.0637(3) 0.0257(14) Uani 1 1 d . . . .
O88 O 0.1426(3) 0.5350(2) 0.0392(3) 0.0122(11) Uani 1 1 d . . . .
O87 O 0.2697(4) 0.6973(2) 0.0570(3) 0.0239(14) Uani 1 1 d . . . .
O86 O 0.1081(4) 0.6282(3) -0.0432(3) 0.0285(15) Uani 1 1 d . . . .
O111 O -0.0533(5) 0.1083(3) -0.0046(3) 0.0334(17) Uani 1 1 d . . . .
O84 O 0.0057(5) 0.6936(3) 0.0220(4) 0.0342(17) Uani 1 1 d . . . .
O105 O -0.2533(4) 0.1781(2) 0.1191(3) 0.0156(11) Uani 1 1 d . . . .
O94 O 0.4154(5) 0.6372(2) 0.1978(4) 0.0350(17) Uani 1 1 d . . . .
O110 O -0.1391(5) 0.0761(4) 0.0811(4) 0.049(2) Uani 1 1 d . . . .
O85 O 0.1627(5) 0.6319(2) 0.1319(3) 0.0314(16) Uani 1 1 d . . . .
C1 C -0.0285(4) 0.4590(3) 0.2429(3) 0.0056(13) Uiso 1 1 d . . . .
O5 O -0.3832(3) 0.61331(18) 0.2456(2) 0.0073(9) Uani 1 1 d U . . .
O95 O -0.3486(10) 0.4448(6) 0.4118(7) 0.040(3) Uiso 0.546(15) 1 d . P G 1
O95A O -0.3333(12) 0.4661(7) 0.4456(9) 0.040(3) Uiso 0.454(15) 1 d . P G 2
O77 O -0.1180(4) 0.8883(2) 0.1089(3) 0.0227(13) Uiso 1 1 d . . . .
O75 O -0.3099(8) 0.8721(5) -0.0655(6) 0.071(3) Uiso 1 1 d . . . .
O83 O -0.0554(6) 0.7579(4) 0.2505(5) 0.053(2) Uiso 1 1 d . . . .
O115 O -0.1183(5) 0.3540(3) 0.4026(3) 0.0292(15) Uiso 1 1 d . . . .
O116 O 0.0089(4) 0.4068(2) 0.4923(3) 0.0221(13) Uiso 1 1 d . . . .
O114 O 0.2103(5) 0.1791(3) 0.2736(3) 0.0318(16) Uiso 1 1 d . . . .
O104 O -0.0657(4) 0.2548(3) 0.4180(3) 0.0280(14) Uiso 1 1 d . . . .
O76 O -0.3159(6) 0.8122(4) -0.1298(5) 0.050(2) Uiso 1 1 d . . . .
O112 O 0.0964(6) 0.1240(4) -0.0158(5) 0.054(2) Uiso 1 1 d . . . .
O107 O 0.0552(10) 0.1590(6) 0.4367(7) 0.032(4) Uiso 0.48(2) 1 d . P . .
O113 O 0.2255(12) 0.1350(7) 0.1745(9) 0.114(5) Uiso 1 1 d . . . .
O117 O 0.3828(9) 0.1123(5) 0.2200(7) 0.089(4) Uiso 1 1 d . . . .
O78 O -0.1461(10) 0.8016(6) -0.0757(7) 0.093(4) Uiso 1 1 d . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -9.4367 3.9380 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
10 -6 -1 0.0086 10.0002 -5.9995 -1.0018 -0.2485 -0.8854 -0.3821
-10 6 1 0.0086 -10.0002 5.9995 1.0018 0.2485 0.8854 0.3821
0 10 12 0.0328 0.0002 9.9993 11.5017 0.0768 0.3614 -0.9361
0 -10 -12 0.0328 -0.0002 -9.9993 -11.5017 -0.0768 -0.3614 0.9361
6 13 1 0.0157 6.0003 12.9997 0.5022 -0.6586 0.1781 -0.6873
-6 -13 -1 0.0157 -6.0003 -12.9997 -0.5022 0.6586 -0.1781 0.6873
-1 -4 14 0.0416 -1.0000 -4.0004 13.9990 0.6690 -0.1945 -0.7002
1 4 -14 0.0416 1.0000 4.0004 -13.9990 -0.6690 0.1945 0.7002
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
O30 W15 O28 80.8(2) . .
O30 W15 O8 160.5(2) . .
O30 W15 O17 92.2(2) . .
O30 W15 O19 94.1(2) . .
O8 W15 O28 80.13(18) . .
O18 W15 O28 172.0(2) . .
O18 W15 O30 102.3(2) . .
O18 W15 O8 97.2(2) . .
O18 W15 O17 101.7(3) . .
O18 W15 O19 99.7(2) . .
O17 W15 O28 85.5(2) . .
O17 W15 O8 82.2(2) . .
O17 W15 O19 155.8(2) . .
O19 W15 O28 72.6(2) . .
O19 W15 O8 84.1(2) . .
O10 W17 Na2 90.10(12) . .
O10 W17 Na6 113.55(13) . 1_455
O11 W17 O10 84.9(2) . .
O11 W17 O6 159.0(2) . .
O11 W17 O13 90.6(2) . .
O11 W17 Na2 131.28(16) . .
O11 W17 Na6 157.48(17) . 1_455
O11 W17 O5 88.6(2) . .
O6 W17 O10 74.08(18) . .
O6 W17 Na2 50.38(15) . .
O6 W17 Na6 41.63(15) . 1_455
O2 W17 O10 169.0(2) . .
O2 W17 O11 103.2(2) . .
O2 W17 O6 97.7(2) . .
O2 W17 O13 103.0(2) . .
O2 W17 Na2 90.15(18) . .
O2 W17 Na6 56.96(19) . 1_455
O2 W17 O5 99.5(2) . .
O13 W17 O10 84.28(19) . .
O13 W17 O6 87.2(2) . .
O13 W17 Na2 40.66(16) . .
O13 W17 Na6 103.52(16) . 1_455
O13 W17 O5 157.1(2) . .
Na6 W17 Na2 64.44(7) 1_455 .
O5 W17 O10 72.89(18) . .
O5 W17 O6 85.4(2) . .
O5 W17 Na2 135.70(16) . .
O5 W17 Na6 84.99(16) . 1_455
O47 W6 O68 96.8(2) . .
O47 W6 O48 99.2(2) . .
O47 W6 O46 100.8(2) . .
O47 W6 O59 171.9(2) . .
O47 W6 O58 101.6(2) . .
O68 W6 O59 81.50(19) . .
O48 W6 O68 85.7(2) . .
O48 W6 O59 72.83(19) . .
O46 W6 O68 162.2(2) . .
O46 W6 O48 94.2(2) . .
O46 W6 O59 81.5(2) . .
O46 W6 O58 91.8(2) . .
O58 W6 O68 81.9(2) . .
O58 W6 O48 156.9(2) . .
O58 W6 O59 86.02(19) . .
O15 W12 O27 73.94(19) . .
O15 W12 O25 156.8(2) . .
O15 W12 O9 85.8(2) . .
O14 W12 O27 173.5(2) . .
O14 W12 O15 100.3(2) . .
O14 W12 O25 100.9(2) . .
O14 W12 O9 95.6(2) . .
O14 W12 O34 101.9(2) . .
O25 W12 O27 84.28(19) . .
O25 W12 O9 82.9(2) . .
O9 W12 O27 81.07(19) . .
O34 W12 O27 81.8(2) . .
O34 W12 O15 94.2(2) . .
O34 W12 O25 90.5(2) . .
O34 W12 O9 162.2(2) . .
O66 W5 O61 80.50(19) . .
O54 W5 O66 81.8(2) . .
O54 W5 O61 83.7(2) . .
O44 W5 O66 162.6(2) . .
O44 W5 O54 92.5(2) . .
O44 W5 O61 82.5(2) . .
O44 W5 O56 94.3(2) . .
O56 W5 O66 84.9(2) . .
O56 W5 O54 156.0(2) . .
O56 W5 O61 74.43(19) . .
O55 W5 O66 94.6(2) . .
O55 W5 O54 101.7(2) . .
O55 W5 O44 102.7(2) . .
O55 W5 O61 172.2(2) . .
O55 W5 O56 99.3(2) . .
O21 W11 O26 84.7(2) . .
O21 W11 O23 156.0(2) . .
O21 W11 O13 83.5(2) . .
O21 W11 Na2 128.39(16) . .
O26 W11 Na2 88.66(13) . .
O32 W11 O21 92.9(2) . .
O32 W11 O26 81.3(2) . .
O32 W11 O23 93.3(2) . .
O32 W11 O13 162.0(2) . .
O32 W11 Na2 136.45(18) . .
O23 W11 O26 73.37(19) . .
O23 W11 O13 83.5(2) . .
O23 W11 Na2 43.47(16) . .
O22 W11 O21 101.4(2) . .
O22 W11 O26 173.2(2) . .
O22 W11 O32 101.3(2) . .
O22 W11 O23 100.1(2) . .
O22 W11 O13 96.7(2) . .
O22 W11 Na2 85.15(19) . .
O13 W11 O26 80.80(18) . .
O13 W11 Na2 44.97(15) . .
O33 W10 O26 81.7(2) . .
O33 W10 O23 91.2(2) . .
O33 W10 O12 162.2(2) . .
O33 W10 O25 94.4(2) . .
O33 W10 Na2 133.97(16) . .
O24 W10 O33 100.6(2) . .
O24 W10 O26 171.5(2) . .
O24 W10 O23 98.2(2) . .
O24 W10 O12 97.0(2) . .
O24 W10 O25 101.8(2) . .
O24 W10 Na2 83.83(19) . .
O26 W10 Na2 88.72(13) . .
O23 W10 O26 73.55(19) . .
O23 W10 O12 83.2(2) . .
O23 W10 Na2 43.26(16) . .
O12 W10 O26 80.47(19) . .
O12 W10 Na2 45.07(15) . .
O25 W10 O26 86.0(2) . .
O25 W10 O23 157.8(2) . .
O25 W10 O12 85.0(2) . .
O25 W10 Na2 129.90(16) . .
O52 W7 O65 83.3(2) . .
O52 W7 O60 75.3(2) . .
O54 W7 O52 157.5(2) . .
O54 W7 O65 82.6(2) . .
O54 W7 O60 85.2(2) . .
O43 W7 O52 94.6(2) . .
O43 W7 O54 94.1(2) . .
O43 W7 O65 163.8(2) . .
O43 W7 O60 83.3(2) . .
O65 W7 O60 80.63(19) . .
O118 W7 O52 99.2(2) . .
O118 W7 O54 99.1(2) . .
O118 W7 O43 102.5(2) . .
O118 W7 O65 93.8(2) . .
O118 W7 O60 172.5(2) . .
O45 W4 O61 81.2(2) . .
O45 W4 O56 91.8(2) . .
O45 W4 O67 161.6(2) . .
O45 W4 O58 92.3(2) . .
O45 W4 Na1 46.60(17) . .
O57 W4 O45 100.8(2) . .
O57 W4 O61 171.8(2) . .
O57 W4 O56 99.4(2) . .
O57 W4 O67 97.6(2) . .
O57 W4 O58 102.7(2) . .
O57 W4 Na1 59.39(19) . .
O61 W4 Na1 118.94(13) . .
O56 W4 O61 72.45(19) . .
O56 W4 O67 84.9(2) . .
O56 W4 Na1 79.16(17) . .
O67 W4 O61 80.56(19) . .
O67 W4 Na1 148.82(15) . .
O58 W4 O61 85.1(2) . .
O58 W4 O56 156.3(2) . .
O58 W4 O67 83.8(2) . .
O58 W4 Na1 119.70(17) . .
O68 W1 O62 84.95(19) . .
O68 W1 O70 88.9(2) . .
O68 W1 O74 157.7(2) . .
O70 W1 O62 73.8(2) . .
O70 W1 O74 85.3(2) . .
O74 W1 O62 72.75(19) . .
O67 W1 O62 83.4(2) . .
O67 W1 O68 88.9(2) . .
O67 W1 O70 157.1(2) . .
O67 W1 O74 88.2(2) . .
O69 W1 O62 170.1(2) . .
O69 W1 O68 102.3(2) . .
O69 W1 O70 99.5(2) . .
O69 W1 O74 99.9(2) . .
O69 W1 O67 103.2(2) . .
O41 W8 O48 91.1(2) . .
O41 W8 O50 93.4(2) . .
O41 W8 O63 162.5(2) . .
O41 W8 O59 81.86(19) . .
O48 W8 O63 84.7(2) . .
O48 W8 O59 72.82(19) . .
O50 W8 O48 157.9(2) . .
O50 W8 O63 84.6(2) . .
O50 W8 O59 86.4(2) . .
O63 W8 O59 80.64(19) . .
O49 W8 O41 100.9(2) . .
O49 W8 O48 98.6(2) . .
O49 W8 O50 101.7(2) . .
O49 W8 O63 96.6(2) . .
O49 W8 O59 171.1(2) . .
O21 W13 O28 84.36(19) . .
O21 W13 O11 81.2(2) . .
O21 W13 O19 155.2(2) . .
O11 W13 O28 81.89(19) . .
O19 W13 O28 73.04(19) . .
O19 W13 O11 85.4(2) . .
O20 W13 O28 173.0(2) . .
O20 W13 O21 100.6(2) . .
O20 W13 O11 93.9(2) . .
O20 W13 O19 101.2(2) . .
O20 W13 O31 102.5(2) . .
O31 W13 O28 82.2(2) . .
O31 W13 O21 92.4(2) . .
O31 W13 O11 163.3(2) . .
O31 W13 O19 94.6(2) . .
O62 W3 Na9 154.63(17) . .
O62 W3 Na9A 137.7(2) . .
O64 W3 O62 84.6(2) . .
O64 W3 O70 157.3(2) . .
O64 W3 O63 88.8(2) . .
O64 W3 O72 89.6(2) . .
O64 W3 Na9 70.1(2) . .
O64 W3 Na9A 55.3(3) . .
O70 W3 O62 72.79(19) . .
O70 W3 Na9 132.3(2) . .
O70 W3 Na9A 145.5(3) . .
O63 W3 O62 83.0(2) . .
O63 W3 O70 86.7(2) . .
O63 W3 O72 156.1(2) . .
O63 W3 Na9 93.53(19) . .
O63 W3 Na9A 83.0(3) . .
O71 W3 O62 170.1(2) . .
O71 W3 O64 102.8(2) . .
O71 W3 O70 99.9(2) . .
O71 W3 O63 103.5(2) . .
O71 W3 O72 100.1(2) . .
O71 W3 Na9 33.9(2) . .
O71 W3 Na9A 51.5(3) . .
O72 W3 O62 73.09(19) . .
O72 W3 O70 85.7(2) . .
O72 W3 Na9 108.3(2) . .
O72 W3 Na9A 115.2(3) . .
O27 W14 Na11 123.40(15) . .
O7 W14 O27 80.27(19) . .
O7 W14 Na11 154.04(17) . .
O15 W14 O27 73.77(19) . .
O15 W14 O7 84.1(2) . .
O15 W14 Na11 92.25(17) . .
O29 W14 O27 81.1(2) . .
O29 W14 O7 161.2(2) . .
O29 W14 O15 93.5(2) . .
O29 W14 O17 92.7(2) . .
O29 W14 Na11 44.48(18) . .
O17 W14 O27 86.3(2) . .
O17 W14 O7 83.2(2) . .
O17 W14 O15 157.9(2) . .
O17 W14 Na11 106.90(18) . .
O16 W14 O27 171.8(2) . .
O16 W14 O7 98.0(2) . .
O16 W14 O15 98.1(2) . .
O16 W14 O29 100.8(2) . .
O16 W14 O17 101.6(2) . .
O16 W14 Na11 57.0(2) . .
O7 W18 O10 83.71(19) . .
O7 W18 O8 89.2(2) . .
O7 W18 O4 88.0(2) . .
O7 W18 O5 157.0(2) . .
O8 W18 O10 83.52(19) . .
O8 W18 O4 156.8(2) . .
O8 W18 O5 88.3(2) . .
O4 W18 O10 73.25(19) . .
O4 W18 O5 85.3(2) . .
O1 W18 O7 102.4(2) . .
O1 W18 O10 171.3(2) . .
O1 W18 O8 102.7(2) . .
O1 W18 O4 100.5(2) . .
O1 W18 O5 100.5(2) . .
O5 W18 O10 73.25(18) . .
O10 W16 Na2 89.32(12) . .
O6 W16 O10 73.30(18) . .
O6 W16 Na2 50.18(15) . .
O12 W16 O10 82.53(19) . .
O12 W16 O6 87.2(2) . .
O12 W16 O4 154.8(2) . .
O12 W16 Na2 41.39(16) . .
O4 W16 O10 72.29(18) . .
O4 W16 O6 85.5(2) . .
O4 W16 Na2 135.52(16) . .
O9 W16 O10 84.2(2) . .
O9 W16 O6 157.5(2) . .
O9 W16 O12 89.1(2) . .
O9 W16 O4 88.5(2) . .
O9 W16 Na2 130.50(15) . .
O3 W16 O10 170.6(2) . .
O3 W16 O6 100.0(2) . .
O3 W16 O12 104.1(2) . .
O3 W16 O4 100.9(2) . .
O3 W16 O9 102.4(2) . .
O3 W16 Na2 91.33(19) . .
O66 W2 O62 83.5(2) . .
O66 W2 O74 88.4(2) . .
O66 W2 O65 90.3(2) . .
O66 W2 O72 157.2(2) . .
O73 W2 O66 102.3(2) . .
O73 W2 O62 172.3(2) . .
O73 W2 O74 101.6(2) . .
O73 W2 O65 101.1(2) . .
O73 W2 O72 100.3(2) . .
O74 W2 O62 73.12(19) . .
O74 W2 O72 84.2(2) . .
O65 W2 O62 83.8(2) . .
O65 W2 O74 156.9(2) . .
O65 W2 O72 88.2(2) . .
O72 W2 O62 73.73(19) . .
O52 W9 O64 84.9(2) . .
O52 W9 O60 73.25(19) . .
O52 W9 Na8 47.4(2) . 4_666
O50 W9 O52 156.4(2) . .
O50 W9 O64 81.8(2) . .
O50 W9 O60 85.38(19) . .
O50 W9 Na8 142.7(2) . 4_666
O64 W9 O60 80.67(19) . .
O64 W9 Na8 72.37(19) . 4_666
O42 W9 O52 94.3(2) . .
O42 W9 O50 91.8(2) . .
O42 W9 O64 160.3(2) . .
O42 W9 O60 80.2(2) . .
O42 W9 Na8 120.9(2) . 4_666
O51 W9 O52 98.2(2) . .
O51 W9 O50 102.8(2) . .
O51 W9 O64 97.4(2) . .
O51 W9 O42 102.2(2) . .
O51 W9 O60 171.3(2) . .
O51 W9 Na8 56.1(2) . 4_666
O60 W9 Na8 115.41(17) . 4_666
O41 Er3 O35 75.96(18) . .
O41 Er3 O38 120.61(18) . .
O41 Er3 O29 90.86(18) . .
O41 Er3 O39 84.55(18) . .
O41 Er3 Na11 67.13(14) . .
O41 Er3 C1 103.39(19) . .
O35 Er3 O38 154.74(18) . .
O35 Er3 Na11 42.65(14) . .
O35 Er3 C1 177.39(19) . .
O38 Er3 Na11 157.76(14) . .
O38 Er3 C1 27.54(19) . .
O46 Er3 O41 84.69(18) . .
O46 Er3 O35 80.79(18) . .
O46 Er3 O38 82.00(17) . .
O46 Er3 O29 154.49(18) . .
O46 Er3 O39 120.11(17) . .
O46 Er3 Na11 120.19(14) . .
O46 Er3 C1 101.70(19) . .
O29 Er3 O35 73.77(18) . .
O29 Er3 O38 121.26(18) . .
O29 Er3 O39 84.28(17) . .
O29 Er3 Na11 36.77(15) . .
O29 Er3 C1 103.77(19) . .
O39 Er3 O35 150.13(17) . .
O39 Er3 O38 55.07(17) . .
O39 Er3 Na11 108.78(13) . .
O39 Er3 C1 27.52(18) . .
O34 Er3 O41 152.41(19) . .
O34 Er3 O35 76.49(18) . .
O34 Er3 O38 84.99(18) . .
O34 Er3 O46 89.41(18) . .
O34 Er3 O29 82.98(18) . .
O34 Er3 O39 121.26(18) . .
O34 Er3 Na11 93.22(14) . .
O34 Er3 C1 104.2(2) . .
C1 Er3 Na11 134.75(15) . .
O43 Er2 O40 82.84(18) . .
O43 Er2 O36 78.16(18) . .
O43 Er2 O39 119.73(18) . .
O43 Er2 C1 102.09(19) . .
O30 Er2 O43 154.00(19) . .
O30 Er2 O40 121.87(18) . .
O30 Er2 O36 75.84(19) . .
O30 Er2 O42 92.39(19) . .
O30 Er2 O39 84.14(18) . .
O30 Er2 O31 84.34(19) . .
O30 Er2 C1 103.89(19) . .
O40 Er2 C1 27.42(19) . .
O36 Er2 O40 153.95(18) . .
O36 Er2 O39 150.99(18) . .
O36 Er2 C1 178.3(2) . .
O42 Er2 O43 80.99(19) . .
O42 Er2 O40 118.30(18) . .
O42 Er2 O36 76.21(19) . .
O42 Er2 O39 83.98(19) . .
O42 Er2 O31 153.77(19) . .
O42 Er2 C1 102.2(2) . .
O39 Er2 O40 55.03(17) . .
O39 Er2 C1 27.61(18) . .
O31 Er2 O43 90.60(19) . .
O31 Er2 O40 84.84(18) . .
O31 Er2 O36 77.76(19) . .
O31 Er2 O39 121.35(18) . .
O31 Er2 C1 103.90(19) . .
O45 Er1 O40 122.81(18) . .
O45 Er1 O38 85.41(18) . .
O45 Er1 O37 76.20(18) . .
O45 Er1 C1 105.16(19) . .
O44 Er1 O45 83.84(18) . .
O44 Er1 O32 90.79(18) . .
O44 Er1 O40 85.83(18) . .
O44 Er1 O38 122.68(18) . .
O44 Er1 O37 73.64(19) . .
O44 Er1 C1 105.19(19) . .
O33 Er1 O45 90.02(18) . .
O33 Er1 O44 151.97(18) . .
O33 Er1 O32 82.26(19) . .
O33 Er1 O40 119.92(17) . .
O33 Er1 O38 83.82(17) . .
O33 Er1 O37 78.33(18) . .
O33 Er1 C1 102.82(19) . .
O32 Er1 O45 152.77(18) . .
O32 Er1 O40 83.16(18) . .
O32 Er1 O38 119.35(18) . .
O32 Er1 O37 76.67(18) . .
O32 Er1 C1 102.01(19) . .
O40 Er1 O38 55.03(17) . .
O40 Er1 O37 150.76(18) . .
O40 Er1 C1 27.41(19) . .
O38 Er1 O37 154.20(18) . .
O38 Er1 C1 27.62(19) . .
O37 Er1 C1 178.17(19) . .
O27 P1 O10 108.4(3) . .
O27 P1 O26 110.5(3) . .
O28 P1 O27 110.3(3) . .
O28 P1 O10 108.2(3) . .
O28 P1 O26 110.6(3) . .
O26 P1 O10 108.8(3) . .
O61 P2 O62 108.7(3) . .
O61 P2 O59 110.7(3) . .
O59 P2 O62 108.4(3) . .
O60 P2 O62 108.3(3) . .
O60 P2 O61 110.7(3) . .
O60 P2 O59 110.0(3) . .
W7 O52 W9 120.5(3) . .
W7 O52 Na8 136.7(3) . 4_666
W9 O52 Na8 100.0(3) . 4_666
W2 O66 W5 150.0(3) . .
W8 O41 Er3 138.5(3) . .
W14 O27 W12 89.43(18) . .
P1 O27 W12 128.2(3) . .
P1 O27 W14 128.1(3) . .
W4 O45 Er1 136.9(3) . .
W4 O45 Na1 102.8(2) . .
Er1 O45 Na1 105.1(2) . .
W18 O7 W14 149.7(3) . .
W7 O54 W5 157.0(3) . .
W13 O28 W15 89.48(17) . .
P1 O28 W15 128.0(3) . .
P1 O28 W13 127.9(3) . .
W7 O43 Er2 138.8(3) . .
Er3 O35 Na11 98.7(2) . .
W1 O62 W3 90.83(17) . .
W2 O62 W1 91.62(16) . .
W2 O62 W3 90.65(17) . .
P2 O62 W1 124.9(3) . .
P2 O62 W3 124.5(3) . .
P2 O62 W2 124.2(3) . .
W5 O44 Er1 137.0(3) . .
W4 O57 Na1 90.8(2) . .
W4 O57 Na10 146.1(3) . .
Na10 O57 Na1 70.65(16) . .
W10 O33 Er1 140.4(3) . .
W15 O30 Er2 138.6(3) . .
W12 O15 W14 121.7(3) . .
W11 O21 W13 157.7(3) . .
W5 O61 W4 89.39(16) . .
P2 O61 W5 128.0(3) . .
P2 O61 W4 126.9(3) . .
W17 O10 W16 90.71(16) . .
W18 O10 W17 91.50(16) . .
W18 O10 W16 90.53(16) . .
P1 O10 W17 125.0(3) . .
P1 O10 W18 125.1(3) . .
P1 O10 W16 123.7(3) . .
W1 O68 W6 149.3(3) . .
W6 O48 W8 123.3(3) . .
W10 O26 W11 91.02(17) . .
P1 O26 W11 127.2(3) . .
P1 O26 W10 127.3(3) . .
W18 O8 W15 149.6(3) . .
W17 O11 W13 148.5(3) . .
W11 O32 Er1 139.5(3) . .
W5 O56 W4 122.8(3) . .
Er1 O40 Er2 175.2(2) . .
C1 O40 Er2 92.1(4) . .
C1 O40 Er1 92.7(4) . .
Er3 O38 Er1 175.5(2) . .
C1 O38 Er3 92.4(4) . .
C1 O38 Er1 92.1(4) . .
W11 O23 W10 121.0(3) . .
W11 O23 Na2 103.9(2) . .
W10 O23 Na2 103.6(2) . .
W17 O6 Na2 96.93(19) . .
W17 O6 Na6 104.8(2) . 1_455
W16 O6 W17 121.9(2) . .
W16 O6 Na2 97.4(2) . .
W16 O6 Na6 130.1(3) . 1_455
Na6 O6 Na2 93.09(19) 1_455 .
W10 O12 Na2 101.0(2) . .
W16 O12 W10 148.6(3) . .
W16 O12 Na2 109.2(2) . .
W8 O50 W9 154.6(3) . .
W3 O64 W9 150.6(3) . .
W9 O42 Er2 142.5(3) . .
W1 O70 W3 122.6(3) . .
W2 O74 W1 122.5(2) . .
W6 O46 Er3 138.2(3) . .
W9 O51 Na8 94.5(3) . 4_666
W9 O51 Na8A 116.4(3) . 4_666
W9 O51 Na9A 104.0(3) . .
Na8A O51 Na9A 65.3(4) 4_666 .
W15 O18 Na5 133.2(3) . .
W10 O25 W12 154.8(3) . .
W14 O29 Er3 139.0(3) . .
W14 O29 Na11 104.1(2) . .
Er3 O29 Na11 109.4(2) . .
W1 O67 W4 149.6(3) . .
W14 O17 W15 155.0(3) . .
W18 O4 W16 123.9(3) . .
W17 O2 Na6 92.7(2) . 1_455
W17 O2 Na9 133.0(3) . 1_455
W17 O2 Na9A 154.8(4) . 1_455
Na9 O2 Na6 130.4(3) 1_455 1_455
Na9A O2 Na6 112.5(3) 1_455 1_455
W2 O65 W7 148.2(3) . .
W3 O63 W8 148.3(3) . .
W13 O19 W15 123.6(3) . .
W8 O59 W6 90.31(17) . .
P2 O59 W6 127.4(3) . .
P2 O59 W8 127.9(3) . .
W4 O58 W6 155.3(3) . .
Er1 O37 Na1 105.1(2) . .
Er3 O39 Er2 174.4(2) . .
C1 O39 Er3 93.1(4) . .
C1 O39 Er2 92.5(4) . .
W7 O60 W9 89.32(17) . .
P2 O60 W7 128.8(3) . .
P2 O60 W9 128.7(3) . .
W13 O31 Er2 137.5(3) . .
W16 O9 W12 150.9(3) . .
W3 O71 Na9 122.3(3) . .
W3 O71 Na9A 101.3(4) . .
W8 O49 Na6 136.0(3) . .
W14 O16 Na3 135.4(3) . .
W14 O16 Na11 92.2(2) . .
Na3 O16 Na11 121.3(3) . .
W3 O72 W2 122.5(3) . .
W17 O13 W11 147.5(3) . .
W17 O13 Na2 110.3(2) . .
W11 O13 Na2 100.3(2) . .
W12 O34 Er3 138.2(3) . .
Na2 O99 Na6 103.3(2) . 1_455
Na2 O101 Na4 96.7(2) . .
Na2 O102 Na4 98.3(2) . .
W4 Na1 Na5 156.05(11) . 2_445
O45 Na1 W4 30.65(12) . .
O45 Na1 O57 58.03(17) . .
O45 Na1 Na5 125.45(17) . 2_445
O57 Na1 W4 29.78(10) . .
O57 Na1 Na5 163.07(16) . 2_445
O37 Na1 W4 92.57(15) . .
O37 Na1 O45 70.62(19) . .
O37 Na1 O57 121.6(2) . .
O37 Na1 Na5 71.87(16) . 2_445
O108 Na1 W4 74.84(17) . .
O108 Na1 O45 99.3(2) . .
O108 Na1 O57 66.5(2) . .
O108 Na1 O37 98.9(2) . .
O108 Na1 Na5 124.52(19) . 2_445
O108 Na1 O109 89.2(3) . .
O108 Na1 O105 83.8(2) . .
O109 Na1 W4 97.21(18) . .
O109 Na1 O45 116.1(2) . .
O109 Na1 O57 68.9(2) . .
O109 Na1 O37 168.7(3) . .
O109 Na1 Na5 97.05(19) . 2_445
O109 Na1 O105 83.8(2) . .
O106 Na1 W4 117.79(18) . .
O106 Na1 O45 92.9(2) . .
O106 Na1 O57 123.8(2) . .
O106 Na1 O37 82.0(2) . .
O106 Na1 Na5 43.65(17) . 2_445
O106 Na1 O108 167.4(3) . .
O106 Na1 O109 88.5(3) . .
O106 Na1 O105 83.6(2) . .
O105 Na1 W4 158.55(19) . .
O105 Na1 O45 159.8(2) . .
O105 Na1 O57 139.1(2) . .
O105 Na1 O37 89.2(2) . .
O105 Na1 Na5 42.88(16) . 2_445
W17 Na2 W16 56.62(5) . .
W17 Na2 Na6 55.50(7) . 1_455
W11 Na2 W17 63.45(5) . .
W11 Na2 W10 58.27(5) . .
W11 Na2 W16 91.06(7) . .
W11 Na2 Na6 118.17(10) . 1_455
W10 Na2 W17 90.37(7) . .
W10 Na2 W16 63.16(5) . .
W10 Na2 Na6 126.99(10) . 1_455
W16 Na2 Na6 64.13(7) . 1_455
O23 Na2 W17 89.41(14) . .
O23 Na2 W11 32.66(12) . .
O23 Na2 W10 33.15(12) . .
O23 Na2 W16 89.77(14) . .
O23 Na2 O6 106.34(19) . .
O23 Na2 O12 63.56(18) . .
O23 Na2 O13 63.97(18) . .
O23 Na2 Na6 143.59(17) . 1_455
O6 Na2 W17 32.69(11) . .
O6 Na2 W11 90.59(13) . .
O6 Na2 W10 89.96(13) . .
O6 Na2 W16 32.44(11) . .
O6 Na2 Na6 38.81(12) . 1_455
O12 Na2 W17 72.38(13) . .
O12 Na2 W11 76.14(14) . .
O12 Na2 W10 33.91(12) . .
O12 Na2 W16 29.45(12) . .
O12 Na2 O6 59.27(16) . .
O12 Na2 Na6 93.57(15) . 1_455
O13 Na2 W17 29.02(12) . .
O13 Na2 W11 34.76(12) . .
O13 Na2 W10 76.64(14) . .
O13 Na2 W16 73.00(13) . .
O13 Na2 O6 59.42(17) . .
O13 Na2 O12 74.66(18) . .
O13 Na2 Na6 83.47(15) . 1_455
O99 Na2 W17 90.10(16) . .
O99 Na2 W11 140.98(18) . .
O99 Na2 W10 156.05(18) . .
O99 Na2 W16 97.63(16) . .
O99 Na2 O23 170.8(2) . .
O99 Na2 O6 77.75(18) . .
O99 Na2 O12 124.9(2) . .
O99 Na2 O13 112.9(2) . .
O99 Na2 O101 87.9(2) . .
O99 Na2 O102 86.6(2) . .
O99 Na2 Na6 39.13(15) . 1_455
O101 Na2 W17 133.46(18) . .
O101 Na2 W11 90.74(16) . .
O101 Na2 W10 108.83(17) . .
O101 Na2 W16 168.81(19) . .
O101 Na2 O23 85.8(2) . .
O101 Na2 O6 158.6(2) . .
O101 Na2 O12 141.4(2) . .
O101 Na2 O13 113.9(2) . .
O101 Na2 Na6 124.14(18) . 1_455
O102 Na2 W17 141.42(17) . .
O102 Na2 W11 132.15(18) . .
O102 Na2 W10 78.27(16) . .
O102 Na2 W16 85.75(16) . .
O102 Na2 O23 99.5(2) . .
O102 Na2 O6 109.7(2) . .
O102 Na2 O12 78.3(2) . .
O102 Na2 O13 152.5(2) . .
O102 Na2 O101 84.9(2) . .
O102 Na2 Na6 103.07(17) . 1_455
O16 Na3 O82 89.9(2) . .
O16 Na3 O81 81.2(2) . .
O16 Na3 O79 82.4(2) . .
O16 Na3 O91A 157.9(3) . .
O82 Na3 O79 170.3(3) . .
O80 Na3 O16 85.6(3) . .
O80 Na3 O82 88.7(3) . .
O80 Na3 O81 165.7(3) . .
O80 Na3 O79 96.6(3) . .
O80 Na3 O91A 110.3(4) . .
O81 Na3 O82 86.2(3) . .
O81 Na3 O79 86.8(3) . .
O91 Na3 O16 166.6(5) . .
O91 Na3 O82 80.9(5) . .
O91 Na3 O80 103.9(5) . .
O91 Na3 O81 88.4(4) . .
O91 Na3 O79 105.5(5) . .
O91A Na3 O82 105.2(3) . .
O91A Na3 O81 83.9(3) . .
O91A Na3 O79 80.5(3) . .
O102 Na4 O101 80.1(2) . .
O102 Na4 O82 98.4(2) . 3_465
O82 Na4 O101 169.1(2) 3_465 .
O93 Na4 O101 100.6(6) . .
O93 Na4 O102 164.7(5) . .
O93 Na4 O82 83.7(6) . 3_465
O93A Na4 O101 86.5(5) . .
O93A Na4 O102 162.7(5) . .
O93A Na4 O82 96.8(5) . 3_465
O103 Na4 O101 107.2(2) . .
O103 Na4 O102 82.9(2) . .
O103 Na4 O82 83.2(2) . 3_465
O103 Na4 O93 82.3(5) . .
O103 Na4 O93A 90.7(4) . .
O100 Na4 O101 92.9(2) . .
O100 Na4 O102 87.8(2) . .
O100 Na4 O82 76.3(2) . 3_465
O100 Na4 O93 107.4(5) . .
O100 Na4 O93A 103.8(4) . .
O100 Na4 O103 156.0(3) . .
O18 Na5 Na1 119.32(17) . 2_455
O106 Na5 O18 159.3(2) 2_455 .
O106 Na5 Na1 41.17(17) 2_455 2_455
O103 Na5 O18 103.8(2) 2_455 .
O103 Na5 Na1 135.0(2) 2_455 2_455
O103 Na5 O106 94.2(2) 2_455 2_455
O103 Na5 O105 167.6(3) 2_455 2_455
O97 Na5 O18 80.4(2) . .
O97 Na5 Na1 87.94(19) . 2_455
O97 Na5 O106 90.5(2) . 2_455
O97 Na5 O103 87.2(2) . 2_455
O97 Na5 O105 104.0(2) . 2_455
O98 Na5 O18 96.8(3) . .
O98 Na5 Na1 104.5(2) . 2_455
O98 Na5 O106 96.0(3) . 2_455
O98 Na5 O103 80.9(3) . 2_455
O98 Na5 O97 166.8(3) . .
O98 Na5 O105 88.5(3) . 2_455
O105 Na5 O18 83.7(2) 2_455 .
O105 Na5 Na1 42.06(15) 2_455 2_455
O105 Na5 O106 80.5(2) 2_455 2_455
W17 Na6 Na2 60.07(7) 1_655 1_655
W17 Na6 Na7 156.59(11) 1_655 .
O6 Na6 W17 33.59(13) 1_655 1_655
O6 Na6 O2 63.43(18) 1_655 1_655
O6 Na6 O49 161.8(2) 1_655 .
O6 Na6 O99 85.5(2) 1_655 1_655
O6 Na6 Na2 48.11(14) 1_655 1_655
O6 Na6 Na7 131.58(18) 1_655 .
O6 Na6 O96 97.7(2) 1_655 .
O2 Na6 W17 30.33(11) 1_655 1_655
O2 Na6 Na2 72.97(13) 1_655 1_655
O2 Na6 Na7 157.34(16) 1_655 .
O49 Na6 W17 131.30(19) . 1_655
O49 Na6 O2 101.0(2) . 1_655
O49 Na6 O99 85.9(2) . 1_655
O49 Na6 Na2 120.60(17) . 1_655
O49 Na6 Na7 66.29(16) . .
O49 Na6 O96 98.7(2) . .
O99 Na6 W17 93.02(16) 1_655 1_655
O99 Na6 O2 92.3(2) 1_655 1_655
O99 Na6 Na2 37.57(14) 1_655 1_655
O99 Na6 Na7 104.77(17) 1_655 .
Na2 Na6 Na7 129.43(12) 1_655 .
O96 Na6 W17 129.89(19) . 1_655
O96 Na6 O2 159.8(2) . 1_655
O96 Na6 O99 93.2(2) . 1_655
O96 Na6 Na2 100.4(2) . 1_655
O96 Na6 Na7 35.80(17) . .
O94 Na6 W17 88.5(2) . 1_655
O94 Na6 O6 100.5(3) . 1_655
O94 Na6 O2 84.5(2) . 1_655
O94 Na6 O49 86.6(3) . .
O94 Na6 O99 171.1(3) . 1_655
O94 Na6 Na2 147.1(2) . 1_655
O94 Na6 Na7 76.3(2) . .
O94 Na6 O96 92.5(3) . .
Na6 Na7 Na11 114.99(12) . .
O96 Na7 Na6 36.50(18) . .
O96 Na7 Na11 150.7(2) . .
O96 Na7 O88 91.5(2) . .
O96 Na7 O87 93.6(3) . .
O96 Na7 O85 124.8(3) . .
O88 Na7 Na6 89.46(17) . .
O88 Na7 Na11 78.93(17) . .
O88 Na7 O87 174.5(3) . .
O88 Na7 O85 86.4(2) . .
O87 Na7 Na6 95.9(2) . .
O87 Na7 Na11 97.5(2) . .
O87 Na7 O85 92.3(3) . .
O86 Na7 Na6 158.6(2) . .
O86 Na7 Na11 81.9(2) . .
O86 Na7 O96 124.2(3) . .
O86 Na7 O88 80.8(2) . .
O86 Na7 O87 94.6(3) . .
O86 Na7 O85 109.8(3) . .
O85 Na7 Na6 88.3(2) . .
O85 Na7 Na11 28.0(2) . .
W9 Na8 Na8 94.2(3) 4_565 3
O52 Na8 W9 32.61(15) 4_565 4_565
O52 Na8 O51 59.4(2) 4_565 4_565
O52 Na8 Na8 125.1(4) 4_565 3
O51 Na8 W9 29.37(13) 4_565 4_565
O51 Na8 Na8 75.0(3) 4_565 3
Na9 Na8 W9 143.9(4) 2_545 4_565
Na9 Na8 O52 137.5(4) 2_545 4_565
Na9 Na8 O51 120.7(4) 2_545 4_565
Na9 Na8 Na8 90.7(4) 2_545 3
Na9 Na8 O111 119.7(4) 2_545 .
Na9 Na8 O110 70.9(4) 2_545 .
O111 Na8 W9 96.1(3) . 4_565
O111 Na8 O52 85.5(3) . 4_565
O111 Na8 O51 117.7(4) . 4_565
O111 Na8 Na8 90.7(4) . 3
O111 Na8 O110 84.1(4) . .
O110 Na8 W9 111.0(3) . 4_565
O110 Na8 O52 79.3(3) . 4_565
O110 Na8 O51 129.1(4) . 4_565
O110 Na8 Na8 154.7(5) . 3
O51 Na8A Na9A 58.7(4) 4_565 4_565
O51 Na8A O111 100.0(4) 4_565 .
Na8A Na8A O51 99.9(11) 3 4_565
Na8A Na8A Na9A 118.5(13) 3 2_545
Na8A Na8A Na9A 41.2(10) 3 4_565
Na8A Na8A O111 89.2(11) 3 .
Na9A Na8A O51 141.6(6) 2_545 4_565
Na9A Na8A Na9A 159.7(5) 2_545 4_565
Na9A Na8A O111 79.5(5) 2_545 .
O111 Na8A Na9A 97.5(4) . 4_565
W3 Na9 Na10 139.0(2) . 2
O2 Na9 W3 94.8(3) 1_655 .
O2 Na9 Na10 75.1(2) 1_655 2
O2 Na9 O92 70.0(4) 1_655 2
O2 Na9 O110 75.2(3) 1_655 2
O2 Na9 O95 98.4(5) 1_655 1_655
O71 Na9 W3 23.84(16) . .
O71 Na9 O2 86.5(3) . 1_655
O71 Na9 Na10 154.4(3) . 2
O71 Na9 O92 115.6(5) . 2
O71 Na9 O110 150.7(4) . 2
O71 Na9 O95 75.5(4) . 1_655
Na8 Na9 W3 134.1(4) 2 .
Na8 Na9 O2 130.6(4) 2 1_655
Na8 Na9 O71 140.6(4) 2 .
Na8 Na9 Na10 63.2(3) 2 2
Na8 Na9 O92 92.7(5) 2 2
Na8 Na9 O110 56.0(3) 2 2
Na8 Na9 O95 85.0(5) 2 1_655
O92 Na9 W3 97.7(4) 2 .
O92 Na9 Na10 41.3(3) 2 2
O92 Na9 O110 79.7(4) 2 2
O110 Na9 W3 170.0(3) 2 .
O110 Na9 Na10 39.7(2) 2 2
O95 Na9 W3 96.3(4) 1_655 .
O95 Na9 Na10 124.2(5) 1_655 2
O95 Na9 O92 162.4(6) 1_655 2
O95 Na9 O110 84.7(5) 1_655 2
O51 Na9A W3 86.0(3) . .
O51 Na9A Na8A 56.0(3) . 4_666
O51 Na9A Na10 98.3(4) . 2
O2 Na9A W3 87.5(4) 1_655 .
O2 Na9A O51 146.4(6) 1_655 .
O2 Na9A O71 70.6(4) 1_655 .
O2 Na9A Na8A 157.6(6) 1_655 4_666
O2 Na9A Na10 80.4(4) 1_655 2
O2 Na9A O110 65.2(4) 1_655 2
O71 Na9A W3 27.22(16) . .
O71 Na9A O51 112.0(5) . .
O71 Na9A Na8A 103.0(5) . 4_666
O71 Na9A Na10 148.9(5) . 2
O71 Na9A O110 109.6(5) . 2
Na8A Na9A W3 95.6(4) 4_666 .
Na8A Na9A W3 97.3(5) 2 .
Na8A Na9A O51 76.3(5) 2 .
Na8A Na9A O2 137.3(7) 2 1_655
Na8A Na9A O71 95.2(5) 2 .
Na8A Na9A Na8A 20.3(5) 2 4_666
Na8A Na9A Na10 98.6(5) 2 2
Na8A Na9A Na10 99.5(4) 4_666 2
Na8A Na9A O92A 122.3(8) 2 2
Na8A Na9A O110 83.8(5) 2 2
Na10 Na9A W3 164.2(5) 2 .
O92A Na9A W3 125.9(6) 2 .
O92A Na9A O51 71.4(6) 2 .
O92A Na9A O2 86.1(6) 2 1_655
O92A Na9A O71 140.9(7) 2 .
O92A Na9A Na8A 109.4(7) 2 4_666
O92A Na9A Na10 43.5(5) 2 2
O92A Na9A O110 86.9(6) 2 2
O110 Na9A W3 136.8(5) 2 .
O110 Na9A O51 135.0(5) 2 .
O110 Na9A Na8A 98.7(5) 2 4_666
O110 Na9A Na10 45.2(3) 2 2
O57 Na10 Na9 153.5(2) . 2_545
O57 Na10 Na9A 138.7(3) . 2_545
O108 Na10 O57 69.8(2) . .
O108 Na10 Na9 103.2(3) . 2_545
O108 Na10 Na9A 108.1(3) . 2_545
O108 Na10 O92 93.5(4) . .
O108 Na10 O111 169.7(3) . .
O108 Na10 O110 93.1(3) . .
O109 Na10 O57 72.6(2) . .
O109 Na10 Na9 133.8(3) . 2_545
O109 Na10 Na9A 147.7(4) . 2_545
O109 Na10 O108 88.9(3) . .
O109 Na10 O92 175.7(5) . .
O109 Na10 O111 86.5(3) . .
O109 Na10 O110 91.7(3) . .
O92 Na10 O57 111.6(4) . .
O92 Na10 Na9 42.1(4) . 2_545
O92A Na10 O57 82.1(6) . .
O92A Na10 Na9A 56.6(6) . 2_545
O92A Na10 O108 88.5(6) . .
O92A Na10 O109 153.8(7) . .
O92A Na10 O111 99.6(6) . .
O92A Na10 O110 114.4(7) . .
O111 Na10 O57 117.3(3) . .
O111 Na10 Na9 73.8(3) . 2_545
O111 Na10 Na9A 72.0(3) . 2_545
O111 Na10 O92 90.6(4) . .
O110 Na10 O57 156.5(3) . .
O110 Na10 Na9 43.9(3) . 2_545
O110 Na10 Na9A 60.9(4) . 2_545
O110 Na10 O92 84.6(4) . .
O110 Na10 O111 77.8(3) . .
W14 Na11 Er3 63.63(7) . .
W14 Na11 Na7 154.97(14) . .
Er3 Na11 Na7 92.44(11) . .
O35 Na11 W14 89.07(16) . .
O35 Na11 Er3 38.70(13) . .
O35 Na11 O16 114.3(2) . .
O35 Na11 Na7 66.49(15) . .
O29 Na11 W14 31.42(13) . .
O29 Na11 Er3 33.79(13) . .
O29 Na11 O35 67.47(19) . .
O29 Na11 O16 61.99(19) . .
O29 Na11 Na7 126.0(2) . .
O29 Na11 O90A 89.5(3) . .
O16 Na11 W14 30.87(12) . .
O16 Na11 Er3 94.45(15) . .
O16 Na11 Na7 168.2(2) . .
O90 Na11 W14 87.4(5) . .
O90 Na11 Er3 131.2(5) . .
O90 Na11 O35 169.1(5) . .
O90 Na11 O29 105.0(5) . .
O90 Na11 O16 66.0(5) . .
O90 Na11 Na7 115.6(5) . .
O90 Na11 O84 97.5(5) . .
O90 Na11 O85 97.7(5) . .
O90A Na11 W14 81.8(3) . .
O90A Na11 Er3 110.0(3) . .
O90A Na11 O35 146.4(4) . .
O90A Na11 O16 71.0(3) . .
O90A Na11 Na7 115.3(3) . .
O84 Na11 W14 119.9(3) . .
O84 Na11 Er3 130.5(2) . .
O84 Na11 O35 93.2(3) . .
O84 Na11 O29 139.6(3) . .
O84 Na11 O16 99.2(3) . .
O84 Na11 Na7 69.2(2) . .
O84 Na11 O90A 119.4(4) . .
O84 Na11 O85 93.3(3) . .
O85 Na11 W14 145.5(2) . .
O85 Na11 Er3 88.6(2) . .
O85 Na11 O35 79.6(3) . .
O85 Na11 O29 115.9(3) . .
O85 Na11 O16 160.5(3) . .
O85 Na11 Na7 29.0(2) . .
O85 Na11 O90A 89.9(4) . .
Na4 O82 Na3 125.6(3) 3_465 .
Na1 O108 Na10 90.2(3) . .
Na10 O109 Na1 90.5(3) . .
Na1 O106 Na5 95.2(2) . 2_445
Na10 O92 Na9 96.6(5) . 2_545
Na10 O92A Na9A 79.8(8) . 2_545
Na5 O103 Na4 126.2(3) 2_445 .
Na7 O96 Na6 107.7(3) . .
Na8 O111 Na10 92.8(4) . .
Na10 O111 Na8A 107.3(4) . .
Na1 O105 Na5 95.1(2) . 2_445
Na8 O110 Na9 53.2(3) . 2_545
Na8 O110 Na10 92.1(4) . .
Na10 O110 Na9 96.4(3) . 2_545
Na10 O110 Na9A 73.9(4) . 2_545
Na11 O85 Na7 122.9(3) . .
Er2 C1 Er3 119.3(2) . .
Er1 C1 Er3 120.3(2) . .
Er1 C1 Er2 120.4(2) . .
O40 C1 Er3 179.7(6) . .
O40 C1 Er2 60.5(4) . .
O40 C1 Er1 59.9(3) . .
O40 C1 O38 120.2(6) . .
O40 C1 O39 120.4(6) . .
O38 C1 Er3 60.0(3) . .
O38 C1 Er2 179.1(5) . .
O38 C1 Er1 60.3(3) . .
O39 C1 Er3 59.4(4) . .
O39 C1 Er2 59.9(4) . .
O39 C1 Er1 179.7(7) . .
O39 C1 O38 119.4(6) . .
W18 O5 W17 122.4(3) . .
O77 O95 Na9 107.7(8) 2_445 1_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W15 O28 2.409(5) .
W15 O30 1.793(5) .
W15 O8 2.032(5) .
W15 O18 1.723(5) .
W15 O17 1.904(6) .
W15 O19 1.918(6) .
W17 O10 2.382(5) .
W17 O11 1.842(5) .
W17 O6 1.958(5) .
W17 O2 1.730(5) .
W17 O13 1.862(5) .
W17 Na2 3.599(3) .
W17 Na6 3.422(3) 1_455
W17 O5 1.958(5) .
W6 O47 1.727(5) .
W6 O68 2.008(5) .
W6 O48 1.923(5) .
W6 O46 1.800(5) .
W6 O59 2.408(5) .
W6 O58 1.912(5) .
W12 O27 2.394(5) .
W12 O15 1.907(5) .
W12 O14 1.737(5) .
W12 O25 1.915(5) .
W12 O9 1.995(5) .
W12 O34 1.804(5) .
W5 O66 2.032(5) .
W5 O54 1.915(5) .
W5 O44 1.780(5) .
W5 O61 2.377(5) .
W5 O56 1.902(5) .
W5 O55 1.729(5) .
W11 O21 1.879(5) .
W11 O26 2.398(5) .
W11 O32 1.805(5) .
W11 O23 1.935(5) .
W11 O22 1.739(5) .
W11 O13 2.017(5) .
W11 Na2 3.481(3) .
W10 O33 1.807(5) .
W10 O24 1.716(5) .
W10 O26 2.366(5) .
W10 O23 1.969(5) .
W10 O12 1.989(5) .
W10 O25 1.877(5) .
W10 Na2 3.499(3) .
W7 O52 1.921(5) .
W7 O54 1.888(5) .
W7 O43 1.796(5) .
W7 O65 2.035(5) .
W7 O60 2.332(5) .
W7 O118 1.735(5) .
W4 O45 1.815(5) .
W4 O57 1.725(5) .
W4 O61 2.429(5) .
W4 O56 1.947(5) .
W4 O67 1.984(5) .
W4 O58 1.888(5) .
W4 Na1 3.473(3) .
W1 O62 2.388(5) .
W1 O68 1.881(5) .
W1 O70 1.933(5) .
W1 O74 1.952(5) .
W1 O67 1.866(5) .
W1 O69 1.724(5) .
W8 O41 1.816(5) .
W8 O48 1.946(5) .
W8 O50 1.879(5) .
W8 O63 1.995(5) .
W8 O59 2.393(5) .
W8 O49 1.713(5) .
W13 O28 2.391(5) .
W13 O21 1.909(5) .
W13 O11 2.052(5) .
W13 O19 1.916(5) .
W13 O20 1.740(5) .
W13 O31 1.780(5) .
W3 O62 2.410(5) .
W3 O64 1.871(5) .
W3 O70 1.963(5) .
W3 O63 1.884(5) .
W3 O71 1.714(5) .
W3 O72 1.937(5) .
W3 Na9 3.585(8) .
W3 Na9A 3.674(14) .
W14 O27 2.380(5) .
W14 O7 2.003(5) .
W14 O15 1.938(5) .
W14 O29 1.800(5) .
W14 O17 1.898(5) .
W14 O16 1.719(5) .
W14 Na11 3.348(4) .
W18 O7 1.858(5) .
W18 O10 2.382(5) .
W18 O8 1.862(5) .
W18 O4 1.931(5) .
W18 O1 1.732(5) .
W18 O5 1.936(5) .
W16 O10 2.420(5) .
W16 O6 1.951(5) .
W16 O12 1.877(5) .
W16 O4 1.934(5) .
W16 O9 1.857(5) .
W16 O3 1.709(5) .
W16 Na2 3.606(3) .
W2 O66 1.839(5) .
W2 O73 1.750(5) .
W2 O62 2.377(5) .
W2 O74 1.945(5) .
W2 O65 1.853(5) .
W2 O72 1.946(5) .
W9 O52 1.923(5) .
W9 O50 1.918(5) .
W9 O64 2.017(5) .
W9 O42 1.782(5) .
W9 O51 1.729(5) .
W9 O60 2.415(5) .
W9 Na8 3.514(8) 4_666
Er3 O41 2.245(5) .
Er3 O35 2.409(5) .
Er3 O38 2.417(5) .
Er3 O46 2.244(5) .
Er3 O29 2.247(5) .
Er3 O39 2.402(5) .
Er3 O34 2.238(5) .
Er3 Na11 3.810(4) .
Er3 C1 2.787(7) .
Er2 O43 2.256(5) .
Er2 O30 2.243(5) .
Er2 O40 2.422(5) .
Er2 O36 2.370(5) .
Er2 O42 2.243(5) .
Er2 O39 2.407(5) .
Er2 O31 2.250(5) .
Er2 C1 2.780(7) .
Er1 O45 2.277(5) .
Er1 O44 2.232(5) .
Er1 O33 2.223(5) .
Er1 O32 2.254(5) .
Er1 O40 2.408(5) .
Er1 O38 2.417(5) .
Er1 O37 2.432(5) .
Er1 C1 2.780(7) .
P1 O27 1.541(5) .
P1 O28 1.535(5) .
P1 O10 1.557(5) .
P1 O26 1.544(5) .
P2 O62 1.565(5) .
P2 O61 1.535(5) .
P2 O59 1.536(5) .
P2 O60 1.532(5) .
O52 Na8 2.626(10) 4_666
O45 Na1 2.587(6) .
O35 Na11 2.611(7) .
O57 Na1 2.990(6) .
O57 Na10 2.800(8) .
O40 C1 1.281(9) .
O38 C1 1.290(9) .
O23 Na2 2.467(6) .
O6 Na2 2.793(6) .
O6 Na6 2.351(6) 1_455
O12 Na2 2.524(6) .
O51 Na8 2.927(9) 4_666
O51 Na8A 2.884(13) 4_666
O51 Na9A 2.975(15) .
O18 Na5 2.517(6) .
O29 Na11 2.418(6) .
O2 Na6 2.872(7) 1_455
O2 Na9 2.459(9) 1_455
O2 Na9A 2.782(15) 1_455
O37 Na1 2.440(6) .
O39 C1 1.290(8) .
O71 Na9 2.365(9) .
O71 Na9A 2.933(15) .
O49 Na6 2.368(6) .
O16 Na3 2.376(6) .
O16 Na11 2.809(7) .
O13 Na2 2.500(6) .
O99 Na2 2.347(6) .
O99 Na6 2.429(6) 1_455
O101 Na2 2.409(6) .
O101 Na4 2.538(7) .
O102 Na2 2.391(7) .
O102 Na4 2.496(6) .
Na1 Na5 3.541(5) 2_445
Na1 O108 2.359(7) .
Na1 O109 2.361(7) .
Na1 O106 2.341(7) .
Na1 O105 2.382(6) .
Na2 Na6 3.746(4) 1_455
Na3 O82 2.525(8) .
Na3 O80 2.373(9) .
Na3 O81 2.403(8) .
Na3 O79 2.558(10) .
Na3 O91 2.328(15) .
Na3 O91A 2.378(11) .
Na4 O82 2.510(7) 3_465
Na4 O93 2.49(2) .
Na4 O93A 2.474(17) .
Na4 O103 2.397(7) .
Na4 O100 2.327(7) .
Na5 Na1 3.541(5) 2_455
Na5 O106 2.454(7) 2_455
Na5 O103 2.394(7) 2_455
Na5 O97 2.329(7) .
Na5 O98 2.285(8) .
Na5 O105 2.419(7) 2_455
Na6 W17 3.422(3) 1_655
Na6 O6 2.351(6) 1_655
Na6 O2 2.872(7) 1_655
Na6 O99 2.429(6) 1_655
Na6 Na2 3.746(4) 1_655
Na6 Na7 3.826(5) .
Na6 O96 2.389(8) .
Na6 O94 2.275(7) .
Na7 Na11 4.162(6) .
Na7 O96 2.349(7) .
Na7 O88 2.359(6) .
Na7 O87 2.361(7) .
Na7 O86 2.301(7) .
Na7 O85 2.408(8) .
Na8 W9 3.514(8) 4_565
Na8 O52 2.626(9) 4_565
Na8 O51 2.927(9) 4_565
Na8 Na8 3.825(15) 3
Na8 Na9 2.204(11) 2_545
Na8 O111 2.235(11) .
Na8 O110 2.282(12) .
Na8A O51 2.884(13) 4_565
Na8A Na8A 1.25(2) 3
Na8A Na9A 2.368(18) 2_545
Na8A Na9A 3.161(18) 4_565
Na8A O111 2.901(14) .
Na9 O2 2.459(9) 1_655
Na9 Na8 2.204(11) 2
Na9 Na10 3.731(10) 2
Na9 O92 2.519(16) 2
Na9 O110 2.603(12) 2
Na9 O95 2.496(17) 1_655
Na9A O2 2.782(15) 1_655
Na9A Na8A 3.161(18) 4_666
Na9A Na8A 2.368(18) 2
Na9A Na10 3.245(15) 2
Na9A O92A 2.75(3) 2
Na9A O110 2.950(16) 2
Na10 Na9 3.731(10) 2_545
Na10 Na9A 3.245(15) 2_545
Na10 O108 2.373(8) .
Na10 O109 2.356(8) .
Na10 O92 2.480(14) .
Na10 O92A 2.27(2) .
Na10 O111 2.418(9) .
Na10 O110 2.398(11) .
Na11 O90 2.197(17) .
Na11 O90A 2.466(12) .
Na11 O84 2.325(9) .
Na11 O85 2.329(9) .
O82 Na4 2.510(7) 3_465
O106 Na5 2.454(7) 2_445
O92 Na9 2.519(16) 2_545
O92A Na9A 2.75(3) 2_545
O103 Na5 2.394(7) 2_445
O105 Na5 2.419(7) 2_445
O110 Na9 2.603(12) 2_545
O110 Na9A 2.950(16) 2_545
O95 Na9 2.496(17) 1_455
O95 O77 1.593(17) 2_445
O77 O95 1.593(17) 2_455
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Er3 O38 C1 Er1 -179.7(3) . .
Er3 O38 C1 O40 -179.8(6) . .
Er3 O38 C1 O39 0.5(7) . .
Er3 O39 C1 Er2 -179.9(3) . .
Er3 O39 C1 O40 179.8(6) . .
Er3 O39 C1 O38 -0.5(7) . .
Er2 O40 C1 Er1 -179.4(3) . .
Er2 O40 C1 O38 -179.3(6) . .
Er2 O40 C1 O39 0.4(7) . .
Er2 O39 C1 Er3 179.9(3) . .
Er2 O39 C1 O40 -0.4(7) . .
Er2 O39 C1 O38 179.3(6) . .
Er1 O40 C1 Er2 179.4(3) . .
Er1 O40 C1 O38 0.1(7) . .
Er1 O40 C1 O39 179.7(6) . .
Er1 O38 C1 Er3 179.7(3) . .
Er1 O38 C1 O40 -0.1(7) . .
Er1 O38 C1 O39 -179.8(6) . .
O52 W7 O54 W5 6.0(12) . .
O52 W7 O43 Er2 57.3(4) . .
O52 W9 O42 Er2 -52.4(5) . .
O52 W9 O51 Na8 23.0(3) . 4_666
O52 W9 O51 Na8A 41.6(4) . 4_666
O52 W9 O51 Na9A 110.7(3) . .
O66 W5 O44 Er1 30.5(10) . .
O66 W2 O65 W7 -22.5(6) . .
O41 W8 O50 W9 117.5(7) . .
O41 W8 O49 Na6 -147.1(4) . .
O27 W12 O34 Er3 -17.6(4) . .
O27 W14 O29 Er3 18.3(4) . .
O27 W14 O29 Na11 162.6(3) . .
O27 W14 O17 W15 -34.4(7) . .
O27 P1 O28 W15 55.1(4) . .
O27 P1 O28 W13 -178.6(3) . .
O27 P1 O10 W17 179.2(3) . .
O27 P1 O10 W18 -58.6(4) . .
O27 P1 O10 W16 60.2(4) . .
O27 P1 O26 W11 178.1(3) . .
O27 P1 O26 W10 -54.6(4) . .
O45 W4 O57 Na1 -22.3(2) . .
O45 W4 O57 Na10 -77.4(5) . .
O45 W4 O58 W6 118.5(7) . .
O73 W2 O66 W5 123.3(6) . .
O73 W2 O65 W7 -125.0(5) . .
O7 W14 O29 Er3 27.2(10) . .
O7 W14 O29 Na11 171.6(6) . .
O7 W14 O17 W15 46.2(7) . .
O7 W14 O16 Na3 -31.4(5) . .
O7 W14 O16 Na11 -172.6(2) . .
O7 W18 O8 W15 -22.1(6) . .
O54 W5 O44 Er1 100.5(4) . .
O54 W7 O43 Er2 -101.9(4) . .
O28 W15 O30 Er2 -19.9(4) . .
O28 W13 O31 Er2 18.5(4) . .
O28 P1 O27 W12 178.0(3) . .
O28 P1 O27 W14 -55.1(4) . .
O28 P1 O10 W17 -61.2(4) . .
O28 P1 O10 W18 60.9(4) . .
O28 P1 O10 W16 179.7(3) . .
O28 P1 O26 W11 55.7(4) . .
O28 P1 O26 W10 -177.0(3) . .
O43 W7 O54 W5 118.5(8) . .
O47 W6 O46 Er3 -149.7(4) . .
O62 W1 O68 W6 -56.7(5) . .
O62 W1 O67 W4 64.4(6) . .
O62 W3 O64 W9 -57.5(6) . .
O62 W3 O63 W8 64.5(5) . .
O62 W2 O66 W5 -62.0(6) . .
O62 W2 O65 W7 60.9(5) . .
O62 P2 O61 W5 62.9(4) . .
O62 P2 O61 W4 -61.8(4) . .
O62 P2 O59 W6 64.1(4) . .
O62 P2 O59 W8 -63.1(4) . .
O62 P2 O60 W7 -64.7(4) . .
O62 P2 O60 W9 63.8(4) . .
O57 W4 O45 Er1 156.1(4) . .
O57 W4 O45 Na1 26.8(3) . .
O57 W4 O58 W6 -139.9(7) . .
O33 W10 O25 W12 -123.3(7) . .
O24 W10 O33 Er1 -157.6(4) . .
O24 W10 O25 W12 134.9(7) . .
O30 W15 O18 Na5 -137.7(4) . .
O15 W12 O34 Er3 55.5(4) . .
O15 W14 O29 Er3 -54.7(4) . .
O15 W14 O29 Na11 89.7(2) . .
O15 W14 O17 W15 -9.2(11) . .
O15 W14 O16 Na3 53.7(4) . .
O15 W14 O16 Na11 -87.4(2) . .
O21 W11 O32 Er1 -103.3(4) . .
O21 W13 O31 Er2 102.5(4) . .
O61 W5 O44 Er1 17.2(4) . .
O61 W4 O45 Er1 -15.8(4) . .
O61 W4 O45 Na1 -145.1(2) . .
O61 W4 O58 W6 37.6(7) . .
O61 P2 O62 W1 60.2(4) . .
O61 P2 O62 W3 -179.7(3) . .
O61 P2 O62 W2 -60.8(4) . .
O61 P2 O59 W6 -55.1(4) . .
O61 P2 O59 W8 177.7(3) . .
O61 P2 O60 W7 54.3(4) . .
O61 P2 O60 W9 -177.1(3) . .
O10 W17 O11 W13 -56.6(6) . .
O10 W17 O2 Na6 32.4(12) . 1_455
O10 W17 O2 Na9 -169.1(9) . 1_455
O10 W17 O2 Na9A -150.1(10) . 1_455
O10 W17 O13 W11 62.5(5) . .
O10 W17 O13 Na2 -96.8(2) . .
O10 W18 O7 W14 -62.1(6) . .
O10 W18 O8 W15 61.6(5) . .
O10 W16 O12 W10 -65.8(6) . .
O10 W16 O12 Na2 97.5(2) . .
O10 W16 O9 W12 59.3(6) . .
O10 P1 O27 W12 -63.7(4) . .
O10 P1 O27 W14 63.2(4) . .
O10 P1 O28 W15 -63.3(4) . .
O10 P1 O28 W13 63.1(4) . .
O10 P1 O26 W11 -63.0(4) . .
O10 P1 O26 W10 64.3(4) . .
O68 W6 O46 Er3 39.6(9) . .
O68 W1 O67 W4 -20.6(6) . .
O48 W6 O46 Er3 -49.4(4) . .
O48 W8 O41 Er3 55.9(4) . .
O48 W8 O50 W9 16.2(11) . .
O48 W8 O49 Na6 -54.3(4) . .
O26 W11 O21 W13 37.1(8) . .
O26 W11 O32 Er1 -19.1(4) . .
O26 W10 O33 Er1 14.1(4) . .
O26 W10 O25 W12 -41.9(7) . .
O26 P1 O27 W12 55.5(4) . .
O26 P1 O27 W14 -177.7(3) . .
O26 P1 O28 W15 177.6(3) . .
O26 P1 O28 W13 -56.0(4) . .
O26 P1 O10 W17 59.0(4) . .
O26 P1 O10 W18 -178.9(3) . .
O26 P1 O10 W16 -60.1(4) . .
O8 W15 O30 Er2 -32.2(10) . .
O8 W15 O18 Na5 43.9(4) . .
O8 W18 O7 W14 21.5(6) . .
O11 W17 O2 Na6 168.39(19) . 1_455
O11 W17 O2 Na9 -33.1(5) . 1_455
O11 W17 O2 Na9A -14.1(9) . 1_455
O11 W17 O13 W11 -22.2(5) . .
O11 W17 O13 Na2 178.4(3) . .
O11 W13 O31 Er2 35.6(10) . .
O14 W12 O34 Er3 157.0(4) . .
O32 W11 O21 W13 118.1(8) . .
O56 W5 O44 Er1 -56.5(4) . .
O56 W4 O45 Er1 56.1(4) . .
O56 W4 O45 Na1 -73.2(2) . .
O56 W4 O57 Na1 71.3(2) . .
O56 W4 O57 Na10 16.3(5) . .
O56 W4 O58 W6 18.7(11) . .
O23 W11 O21 W13 13.3(12) . .
O23 W11 O32 Er1 53.5(4) . .
O23 W10 O33 Er1 -59.1(4) . .
O23 W10 O25 W12 -19.3(11) . .
O6 W17 O11 W13 -56.3(9) . .
O6 W17 O2 Na6 -8.9(2) . 1_455
O6 W17 O2 Na9 149.6(4) . 1_455
O6 W17 O2 Na9A 168.6(9) . 1_455
O6 W17 O13 W11 136.8(5) . .
O6 W17 O13 Na2 -22.6(2) . .
O6 W16 O12 W10 -139.4(6) . .
O6 W16 O12 Na2 24.0(2) . .
O6 W16 O9 W12 57.2(9) . .
O12 W10 O33 Er1 12.2(10) . .
O12 W10 O25 W12 38.9(7) . .
O12 W16 O9 W12 -23.3(6) . .
O50 W8 O41 Er3 -102.4(4) . .
O50 W8 O49 Na6 117.1(4) . .
O50 W9 O42 Er2 104.7(5) . .
O50 W9 O51 Na8 -146.1(2) . 4_666
O50 W9 O51 Na8A -127.5(4) . 4_666
O50 W9 O51 Na9A -58.4(4) . .
O64 W3 O63 W8 -20.3(5) . .
O64 W3 O71 Na9 -16.0(4) . .
O64 W3 O71 Na9A -22.4(4) . .
O64 W9 O42 Er2 34.6(10) . .
O64 W9 O51 Na8 -62.9(3) . 4_666
O64 W9 O51 Na8A -44.3(4) . 4_666
O64 W9 O51 Na9A 24.8(4) . .
O42 W9 O51 Na8 119.2(3) . 4_666
O42 W9 O51 Na8A 137.9(4) . 4_666
O42 W9 O51 Na9A -153.1(3) . .
O70 W1 O68 W6 -130.5(6) . .
O70 W1 O67 W4 63.9(9) . .
O70 W3 O64 W9 -52.8(9) . .
O70 W3 O63 W8 137.5(6) . .
O70 W3 O71 Na9 164.8(4) . .
O70 W3 O71 Na9A 158.4(3) . .
O74 W1 O68 W6 -55.8(9) . .
O74 W1 O67 W4 137.3(6) . .
O74 W2 O66 W5 -135.2(6) . .
O74 W2 O65 W7 64.1(9) . .
O51 W9 O42 Er2 -151.8(5) . .
O18 W15 O30 Er2 152.6(4) . .
O25 W12 O34 Er3 -101.8(4) . .
O25 W10 O33 Er1 99.5(4) . .
O29 W14 O17 W15 -115.3(7) . .
O29 W14 O16 Na3 148.9(4) . .
O29 W14 O16 Na11 7.7(3) . .
O67 W4 O45 Er1 -23.3(10) . .
O67 W4 O45 Na1 -152.6(6) . .
O67 W4 O57 Na1 157.45(18) . .
O67 W4 O57 Na10 102.4(5) . .
O67 W4 O58 W6 -43.4(7) . .
O67 W1 O68 W6 26.8(6) . .
O17 W15 O30 Er2 -105.0(4) . .
O17 W15 O18 Na5 127.4(4) . .
O17 W14 O29 Er3 104.1(4) . .
O17 W14 O29 Na11 -111.6(3) . .
O17 W14 O16 Na3 -116.1(4) . .
O17 W14 O16 Na11 102.8(2) . .
O4 W18 O7 W14 -135.4(6) . .
O4 W18 O8 W15 61.0(9) . .
O4 W16 O12 W10 -66.3(8) . .
O4 W16 O12 Na2 97.1(5) . .
O4 W16 O9 W12 131.6(6) . .
O2 W17 O11 W13 131.1(6) . .
O2 W17 O13 W11 -125.9(5) . .
O2 W17 O13 Na2 74.7(3) . .
O65 W7 O54 W5 -45.5(8) . .
O65 W7 O43 Er2 -24.4(10) . .
O65 W2 O66 W5 21.8(6) . .
O63 W8 O41 Er3 -19.6(10) . .
O63 W8 O50 W9 -45.0(7) . .
O63 W8 O49 Na6 31.2(4) . .
O63 W3 O64 W9 25.6(6) . .
O63 W3 O71 Na9 75.9(4) . .
O63 W3 O71 Na9A 69.5(4) . .
O22 W11 O21 W13 -139.8(8) . .
O22 W11 O32 Er1 154.5(4) . .
O19 W15 O30 Er2 51.7(4) . .
O19 W15 O18 Na5 -41.2(4) . .
O19 W13 O31 Er2 -53.7(4) . .
O59 W6 O46 Er3 22.5(4) . .
O59 W8 O41 Er3 -16.5(4) . .
O59 W8 O50 W9 35.9(7) . .
O59 P2 O62 W1 -60.2(4) . .
O59 P2 O62 W3 59.9(4) . .
O59 P2 O62 W2 178.8(3) . .
O59 P2 O61 W5 -178.1(3) . .
O59 P2 O61 W4 57.1(4) . .
O59 P2 O60 W7 177.0(3) . .
O59 P2 O60 W9 -54.4(4) . .
O1 W18 O7 W14 124.3(6) . .
O1 W18 O8 W15 -124.7(5) . .
O58 W6 O46 Er3 108.2(4) . .
O58 W4 O45 Er1 -100.5(4) . .
O58 W4 O45 Na1 130.1(2) . .
O58 W4 O57 Na1 -117.2(2) . .
O58 W4 O57 Na10 -172.3(5) . .
O20 W13 O31 Er2 -156.2(4) . .
O60 W7 O54 W5 35.6(8) . .
O60 W7 O43 Er2 -17.3(4) . .
O60 W9 O42 Er2 19.7(5) . .
O60 P2 O62 W1 -179.5(3) . .
O60 P2 O62 W3 -59.4(4) . .
O60 P2 O62 W2 59.5(4) . .
O60 P2 O61 W5 -55.9(4) . .
O60 P2 O61 W4 179.4(3) . .
O60 P2 O59 W6 -177.7(3) . .
O60 P2 O59 W8 55.0(4) . .
O55 W5 O44 Er1 -157.0(4) . .
O9 W12 O34 Er3 -34.0(9) . .
O9 W16 O12 W10 18.4(6) . .
O9 W16 O12 Na2 -178.3(2) . .
O118 W7 O54 W5 -138.2(8) . .
O118 W7 O43 Er2 157.7(4) . .
O3 W16 O12 W10 121.0(6) . .
O3 W16 O12 Na2 -75.6(3) . .
O3 W16 O9 W12 -127.5(6) . .
O71 W3 O64 W9 129.2(6) . .
O71 W3 O63 W8 -123.1(5) . .
O49 W8 O41 Er3 154.9(4) . .
O49 W8 O50 W9 -140.7(7) . .
O16 W14 O29 Er3 -153.6(4) . .
O16 W14 O29 Na11 -9.2(3) . .
O16 W14 O17 W15 143.0(7) . .
O72 W3 O64 W9 -130.6(6) . .
O72 W3 O63 W8 66.1(8) . .
O72 W3 O71 Na9 -107.9(4) . .
O72 W3 O71 Na9A -114.3(3) . .
O72 W2 O66 W5 -64.2(9) . .
O72 W2 O65 W7 134.8(6) . .
O69 W1 O68 W6 130.1(5) . .
O69 W1 O67 W4 -123.0(6) . .
O13 W17 O11 W13 27.6(6) . .
O13 W17 O2 Na6 -97.8(2) . 1_455
O13 W17 O2 Na9 60.7(5) . 1_455
O13 W17 O2 Na9A 79.7(9) . 1_455
O13 W11 O21 W13 -44.2(8) . .
O13 W11 O32 Er1 -25.5(10) . .
Na1 W4 O45 Er1 129.3(5) . .
Na1 W4 O57 Na10 -55.1(4) . .
Na1 W4 O58 W6 158.3(6) . .
Na2 W17 O11 W13 29.0(7) . .
Na2 W17 O2 Na6 -58.90(14) . 1_455
Na2 W17 O2 Na9 99.6(4) . 1_455
Na2 W17 O2 Na9A 118.6(9) . 1_455
Na2 W17 O13 W11 159.4(7) . .
Na2 W11 O21 W13 -46.9(9) . .
Na2 W11 O32 Er1 59.6(5) . .
Na2 W10 O33 Er1 -66.0(5) . .
Na2 W10 O25 W12 43.1(8) . .
Na2 W16 O12 W10 -163.3(7) . .
Na2 W16 O9 W12 -24.8(7) . .
Na6 W17 O11 W13 157.3(3) 1_455 .
Na6 W17 O2 Na9 158.5(5) 1_455 1_455
Na6 W17 O2 Na9A 177.5(10) 1_455 1_455
Na6 W17 O13 W11 175.4(5) 1_455 .
Na6 W17 O13 Na2 16.0(2) 1_455 .
Na8 W9 O42 Er2 -94.1(5) 4_666 .
Na9 W3 O64 W9 119.8(6) . .
Na9 W3 O63 W8 -90.3(5) . .
Na9A W3 O64 W9 107.9(7) . .
Na9A W3 O63 W8 -75.5(6) . .
Na11 W14 O29 Er3 -144.4(6) . .
Na11 W14 O17 W15 -158.2(7) . .
Na11 W14 O16 Na3 141.1(5) . .
O5 W17 O11 W13 -129.5(6) . .
O5 W17 O2 Na6 77.6(2) . 1_455
O5 W17 O2 Na9 -123.8(4) . 1_455
O5 W17 O2 Na9A -104.8(9) . 1_455
O5 W17 O13 W11 65.6(8) . .
O5 W17 O13 Na2 -93.8(6) . .
O5 W18 O7 W14 -62.5(9) . .
O5 W18 O8 W15 135.0(6) . .
