#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:34:44 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179668 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/21/4512155.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_4512155
loop_
_publ_author_name
'Zhao, Junwei'
'Li, Hailou'
'Li, Yanzhou'
'Li, Chunyang'
'Wang, Zhenling'
'Chen, Lijuan'
_publ_section_title
;
 Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster
 Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures,
 and Properties
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5495
_journal_paper_doi               10.1021/cg500675g
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C4 H82 Er4 Na10 O80 W8'
_chemical_formula_weight         3780.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   notdet
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.1720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.9139(5)
_cell_length_b                   35.3632(17)
_cell_length_c                   9.8539(5)
_cell_measurement_reflns_used    3413
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.19
_cell_volume                     3921.3(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9860
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    16.089
_exptl_absorpt_correction_T_max  0.1828
_exptl_absorpt_correction_T_min  0.0549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    3.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'square lamellar'
_exptl_crystal_F_000             3440
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         4.699
_refine_diff_density_min         -2.936
_refine_diff_density_rms         0.279
_refine_ls_extinction_coef       0.00029(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         3413
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0368
_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)+(0.0574P)²+109.5500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1098
_reflns_number_gt                3077
_reflns_number_total             3413
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg500675g_si_001.cif
_cod_data_source_block           1-Er
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4512153--4512160.cif.
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4512155
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
W1 W 0.20458(3) 0.148927(10) 0.58009(4) 0.01615(16) Uani 1 1 d . .
W2 W -0.00056(3) 0.196359(12) 0.32978(4) 0.02036(17) Uani 1 1 d . .
Er' Er 0.00013(10) 0.10580(4) 0.31643(12) 0.0125(3) Uani 0.50 1 d P 1
Er Er -0.00249(10) 0.08886(4) 0.31381(12) 0.0142(3) Uani 0.50 1 d PU 2
Na1 Na -0.1712(4) 0.28419(13) 0.1232(5) 0.0352(10) Uani 1 1 d . .
Na2 Na 0.5000 0.15980(19) 0.5000 0.0341(14) Uani 1 2 d S .
O1 O 0.1721(7) 0.1136(2) 0.4313(11) 0.045(2) Uani 1 1 d . .
O1W O 0.1170(8) 0.0821(3) 0.1590(10) 0.046 Uiso 1 1 d . .
O2W O -0.1193(9) 0.0816(3) 0.0641(11) 0.056 Uiso 1 1 d . .
O3W O -0.3186(7) 0.2366(2) 0.1094(8) 0.0319(17) Uani 1 1 d . .
O4W O -0.1314(6) 0.2905(2) 0.3767(8) 0.0301(17) Uani 1 1 d . .
O5W O -0.3262(8) 0.3331(3) 0.0698(10) 0.046(2) Uani 1 1 d . .
O6W O -0.0454(8) 0.3347(3) 0.1130(10) 0.047(2) Uani 1 1 d . .
O7W O 0.3702(12) 0.1158(4) 0.3309(16) 0.091(5) Uani 1 1 d . .
O8W O 0.687(2) 0.1132(8) 0.905(4) 0.095(9) Uani 0.50 1 d P .
O8W' O 0.652(2) 0.0951(7) 1.032(3) 0.079(7) Uani 0.50 1 d P .
O9W O 0.5000 0.0546(6) 1.0000 0.087 Uiso 1 2 d S .
O2 O 0.1746(8) 0.1137(2) 0.7053(11) 0.049(3) Uani 1 1 d . .
O3 O 0.3581(7) 0.1524(2) 0.6342(10) 0.0339(19) Uani 1 1 d . .
O4 O 0.0000 0.1506(2) 0.5000 0.019(2) Uani 1 2 d S .
O5 O 0.1646(6) 0.18895(19) 0.4298(7) 0.0196(14) Uani 1 1 d . .
O6 O -0.0044(7) 0.2335(2) 0.2132(8) 0.0320(18) Uani 1 1 d . .
O7 O -0.1659(6) 0.18869(19) 0.3036(8) 0.0217(15) Uani 1 1 d . .
O8 O 0.0000 0.2256(2) 0.5000 0.0186(19) Uani 1 2 d S .
O9 O -0.0014(6) 0.15311(19) 0.2228(8) 0.0221(15) Uani 1 1 d . .
O10 O 0.1151(13) 0.0310(4) 0.363(2) 0.100(5) Uani 1 1 d U .
O11 O -0.1219(12) 0.0314(4) 0.2747(17) 0.092(4) Uani 1 1 d . .
O12 O 0.0000 0.0731(5) 0.5000 0.089(5) Uani 1 2 d SU .
C1 C 0.0599(19) 0.0000 0.350(2) 0.047(4) Uani 1 2 d SU .
C2 C -0.069(3) 0.0000 0.301(3) 0.066(7) Uani 1 2 d S .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O3 W1 O1 102.3(4) . .
O3 W1 O2 104.8(4) . .
O1 W1 O2 92.2(5) . .
O3 W1 O7 101.3(3) . 2_556
O1 W1 O7 155.5(3) . 2_556
O2 W1 O7 87.6(4) . 2_556
O3 W1 O5 98.6(3) . .
O1 W1 O5 87.4(4) . .
O2 W1 O5 156.2(3) . .
O7 W1 O5 83.1(3) 2_556 .
O3 W1 O4 174.1(3) . .
O1 W1 O4 79.9(3) . .
O2 W1 O4 80.4(3) . .
O7 W1 O4 75.9(3) 2_556 .
O5 W1 O4 76.0(2) . .
O3 W1 Er' 135.0(3) . .
O1 W1 Er' 33.1(2) . .
O2 W1 Er' 87.7(3) . .
O7 W1 Er' 122.5(2) 2_556 .
O5 W1 Er' 78.9(2) . .
O4 W1 Er' 46.89(14) . .
O3 W1 Er' 138.4(3) . 2_556
O1 W1 Er' 87.2(3) . 2_556
O2 W1 Er' 33.8(3) . 2_556
O7 W1 Er' 79.2(2) 2_556 2_556
O5 W1 Er' 122.47(19) . 2_556
O4 W1 Er' 46.63(14) . 2_556
Er' W1 Er' 66.46(4) . 2_556
O6 W2 O9 104.7(4) . .
O6 W2 O5 104.1(3) . .
O9 W2 O5 89.6(3) . .
O6 W2 O7 102.4(3) . .
O9 W2 O7 89.6(3) . .
O5 W2 O7 152.7(3) . .
O6 W2 O8 99.1(3) . .
O9 W2 O8 156.2(3) . .
O5 W2 O8 85.3(2) . .
O7 W2 O8 84.5(2) . .
O6 W2 O4 174.6(3) . .
O9 W2 O4 80.5(3) . .
O5 W2 O4 76.9(2) . .
O7 W2 O4 76.1(2) . .
O8 W2 O4 75.7(3) . .
O6 W2 Er' 136.8(3) . .
O9 W2 Er' 32.1(2) . .
O5 W2 Er' 82.4(2) . .
O7 W2 Er' 82.5(2) . .
O8 W2 Er' 124.1(2) . .
O4 W2 Er' 48.41(15) . .
O9 Er' O1 89.9(4) . .
O9 Er' O2 88.9(4) . 2_556
O1 Er' O2 149.0(4) . 2_556
O9 Er' O12 151.3(4) . .
O1 Er' O12 83.3(3) . .
O2 Er' O12 83.1(3) 2_556 .
O9 Er' O4 77.5(3) . .
O1 Er' O4 74.8(2) . .
O2 Er' O4 74.7(2) 2_556 .
O12 Er' O4 73.8(4) . .
O9 Er' O1W 85.1(3) . .
O1 Er' O1W 74.2(3) . .
O2 Er' O1W 136.5(3) 2_556 .
O12 Er' O1W 119.2(4) . .
O4 Er' O1W 144.3(2) . .
O9 Er' O2W 84.8(3) . .
O1 Er' O2W 136.8(4) . .
O2 Er' O2W 73.9(3) 2_556 .
O12 Er' O2W 118.8(4) . .
O4 Er' O2W 144.0(2) . .
O1W Er' O2W 62.6(3) . .
O9 Er' W2 31.1(2) . .
O1 Er' W2 81.7(2) . .
O2 Er' W2 81.4(2) 2_556 .
O12 Er' W2 120.2(4) . .
O4 Er' W2 46.38(15) . .
O1W Er' W2 111.3(2) . .
O2W Er' W2 111.3(2) . .
O9 Er' W1 82.1(2) . .
O1 Er' W1 30.5(2) . .
O2 Er' W1 118.9(2) 2_556 .
O12 Er' W1 77.9(3) . .
O4 Er' W1 44.34(2) . .
O1W Er' W1 102.9(2) . .
O2W Er' W1 161.3(2) . .
W2 Er' W1 61.07(2) . .
O9 Er' W1 81.6(2) . 2_556
O1 Er' W1 118.8(2) . 2_556
O2 Er' W1 30.6(2) 2_556 2_556
O12 Er' W1 77.5(3) . 2_556
O4 Er' W1 44.10(2) . 2_556
O1W Er' W1 161.2(2) . 2_556
O2W Er' W1 102.8(2) . 2_556
W2 Er' W1 60.97(2) . 2_556
W1 Er' W1 88.42(3) . 2_556
O9 Er' Er' 118.7(2) . 2_556
O1 Er' Er' 76.9(3) . 2_556
O2 Er' Er' 76.7(3) 2_556 2_556
O12 Er' Er' 32.6(4) . 2_556
O4 Er' Er' 41.22(15) . 2_556
O1W Er' Er' 142.2(2) . 2_556
O2W Er' Er' 141.7(2) . 2_556
W2 Er' Er' 87.60(2) . 2_556
W1 Er' Er' 56.96(3) . 2_556
W1 Er' Er' 56.58(3) 2_556 2_556
O12 Er O2 85.3(4) . 2_556
O12 Er O1 84.1(4) . .
O2 Er O1 125.7(3) 2_556 .
O12 Er O2W 140.5(4) . .
O2 Er O2W 75.1(4) 2_556 .
O1 Er O2W 135.0(4) . .
O12 Er O1W 138.7(3) . .
O2 Er O1W 135.8(4) 2_556 .
O1 Er O1W 73.8(3) . .
O2W Er O1W 66.9(3) . .
O12 Er O10 74.9(6) . .
O2 Er O10 145.0(4) 2_556 .
O1 Er O10 81.2(4) . .
O2W Er O10 102.3(5) . .
O1W Er O10 67.7(5) . .
O12 Er O11 74.5(6) . .
O2 Er O11 80.8(4) 2_556 .
O1 Er O11 144.6(4) . .
O2W Er O11 68.8(5) . .
O1W Er O11 104.6(4) . .
O10 Er O11 66.3(5) . .
O12 Er O9 128.6(5) . .
O2 Er O9 73.2(3) 2_556 .
O1 Er O9 72.9(3) . .
O2W Er O9 78.2(3) . .
O1W Er O9 77.6(3) . .
O10 Er O9 141.3(4) . .
O11 Er O9 142.2(4) . .
O12 Er O4 67.1(5) . .
O2 Er O4 63.7(2) 2_556 .
O1 Er O4 63.1(2) . .
O2W Er O4 128.3(3) . .
O1W Er O4 126.9(2) . .
O10 Er O4 129.3(4) . .
O11 Er O4 128.6(4) . .
O9 Er O4 61.5(2) . .
O12 Er Er 17.0(5) . 2_556
O2 Er Er 78.0(3) 2_556 2_556
O1 Er Er 76.8(3) . 2_556
O2W Er Er 147.1(3) . 2_556
O1W Er Er 144.7(2) . 2_556
O10 Er Er 89.1(4) . 2_556
O11 Er Er 88.6(4) . 2_556
O9 Er Er 111.61(17) . 2_556
O4 Er Er 50.12(11) . 2_556
O6W Na1 O3W 91.5(3) . 7_455
O6W Na1 O4W 93.6(3) . .
O3W Na1 O4W 165.1(3) 7_455 .
O6W Na1 O3W 172.7(4) . .
O3W Na1 O3W 85.6(3) 7_455 .
O4W Na1 O3W 90.8(3) . .
O6W Na1 O5W 84.3(4) . .
O3W Na1 O5W 102.4(3) 7_455 .
O4W Na1 O5W 92.0(3) . .
O3W Na1 O5W 89.8(3) . .
O6W Na1 O6 96.4(3) . .
O3W Na1 O6 84.6(3) 7_455 .
O4W Na1 O6 80.9(3) . .
O3W Na1 O6 90.0(3) . .
O5W Na1 O6 172.9(3) . .
O6W Na1 Na1 134.3(3) . 7_455
O3W Na1 Na1 43.1(2) 7_455 7_455
O4W Na1 Na1 131.6(3) . 7_455
O3W Na1 Na1 42.5(2) . 7_455
O5W Na1 Na1 98.2(3) . 7_455
O6 Na1 Na1 86.4(3) . 7_455
O6W Na1 Na2 62.6(2) . 7_556
O3W Na1 Na2 151.1(3) 7_455 7_556
O4W Na1 Na2 31.1(2) . 7_556
O3W Na1 Na2 121.7(2) . 7_556
O5W Na1 Na2 88.2(3) . 7_556
O6 Na1 Na2 85.8(2) . 7_556
Na1 Na1 Na2 162.3(2) 7_455 7_556
O4W Na2 O4W 85.9(4) 7_556 8
O4W Na2 O7W 168.1(4) 7_556 .
O4W Na2 O7W 87.7(4) 8 .
O4W Na2 O7W 87.7(4) 7_556 2_656
O4W Na2 O7W 168.1(4) 8 2_656
O7W Na2 O7W 100.2(9) . 2_656
O4W Na2 O3 104.7(3) 7_556 .
O4W Na2 O3 84.4(3) 8 .
O7W Na2 O3 84.6(4) . .
O7W Na2 O3 87.6(4) 2_656 .
O4W Na2 O3 84.4(3) 7_556 2_656
O4W Na2 O3 104.7(3) 8 2_656
O7W Na2 O3 87.6(4) . 2_656
O7W Na2 O3 84.6(4) 2_656 2_656
O3 Na2 O3 167.8(5) . 2_656
O4W Na2 Na1 31.0(2) 7_556 7_556
O4W Na2 Na1 98.7(3) 8 7_556
O7W Na2 Na1 160.7(4) . 7_556
O7W Na2 Na1 71.0(4) 2_656 7_556
O3 Na2 Na1 78.0(2) . 7_556
O3 Na2 Na1 108.1(2) 2_656 7_556
O4W Na2 Na1 98.7(3) 7_556 8
O4W Na2 Na1 31.0(2) 8 8
O7W Na2 Na1 71.0(4) . 8
O7W Na2 Na1 160.7(4) 2_656 8
O3 Na2 Na1 108.1(2) . 8
O3 Na2 Na1 78.0(2) 2_656 8
Na1 Na2 Na1 122.4(2) 7_556 8
W1 O1 Er' 116.4(4) . .
W1 O1 Er 126.5(4) . .
Er' O1 Er 15.50(7) . .
Er O1W Er' 13.58(6) . .
Er O2W Er' 13.32(6) . .
Na1 O3W Na1 94.4(3) 7_455 .
Na1 O4W Na2 117.9(3) . 7_556
W1 O2 Er' 115.6(4) . 2_556
W1 O2 Er 126.1(4) . 2_556
Er' O2 Er 15.88(7) 2_556 2_556
W1 O3 Na2 132.8(5) . .
W1 O4 W1 177.0(4) . 2_556
W1 O4 W2 91.08(14) . 2_556
W1 O4 W2 90.99(14) 2_556 2_556
W1 O4 W2 90.99(14) . .
W1 O4 W2 91.08(14) 2_556 .
W2 O4 W2 92.0(3) 2_556 .
W1 O4 Er' 88.77(14) . .
W1 O4 Er' 89.26(15) 2_556 .
W2 O4 Er' 177.2(3) 2_556 .
W2 O4 Er' 85.22(3) . .
W1 O4 Er' 89.26(15) . 2_556
W1 O4 Er' 88.77(14) 2_556 2_556
W2 O4 Er' 85.22(3) 2_556 2_556
W2 O4 Er' 177.2(3) . 2_556
Er' O4 Er' 97.6(3) . 2_556
W1 O4 Er 89.24(17) . .
W1 O4 Er 88.47(16) 2_556 .
W2 O4 Er 173.9(3) 2_556 .
W2 O4 Er 94.11(5) . .
Er' O4 Er 8.92(6) . .
Er' O4 Er 88.7(3) 2_556 .
W1 O4 Er 88.47(16) . 2_556
W1 O4 Er 89.24(17) 2_556 2_556
W2 O4 Er 94.11(5) 2_556 2_556
W2 O4 Er 173.9(3) . 2_556
Er' O4 Er 88.7(3) . 2_556
Er' O4 Er 8.92(6) 2_556 2_556
Er O4 Er 79.8(2) . 2_556
W2 O5 W1 115.9(3) . .
W2 O6 Na1 126.7(4) . .
W2 O7 W1 116.7(3) . 2_556
W2 O8 W2 116.6(4) . 2_556
W2 O9 Er' 116.8(4) . .
W2 O9 Er 123.9(3) . .
Er' O9 Er 7.13(7) . .
C1 O10 Er 117.5(12) . .
C2 O11 Er 118.6(15) . .
Er O12 Er 146.0(10) 2_556 .
Er O12 Er' 15.62(11) 2_556 2_556
Er O12 Er' 130.4(9) . 2_556
Er O12 Er' 130.4(9) 2_556 .
Er O12 Er' 15.62(11) . .
Er' O12 Er' 114.8(8) 2_556 .
O10 C1 O10 120(2) . 6
O10 C1 C2 119.5(11) . .
O10 C1 C2 119.5(11) 6 .
O11 C2 O11 124(3) 6 .
O11 C2 C1 117.9(14) 6 .
O11 C2 C1 117.9(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O3 1.733(8) .
W1 O1 1.867(8) .
W1 O2 1.868(9) .
W1 O7 1.962(7) 2_556
W1 O5 1.990(7) .
W1 O4 2.3030(4) .
W1 Er' 3.2943(12) .
W1 Er' 3.3088(12) 2_556
W2 O6 1.737(8) .
W2 O9 1.855(7) .
W2 O5 1.908(7) .
W2 O7 1.920(7) .
W2 O8 1.968(5) .
W2 O4 2.328(6) .
W2 Er' 3.2054(14) .
Er' O9 1.908(7) .
Er' O1 2.008(9) .
Er' O2 2.041(9) 2_556
Er' O12 2.148(9) .
Er' O4 2.406(6) .
Er' O1W 2.544(10) .
Er' O2W 2.572(11) .
Er' W1 3.3088(12) 2_556
Er' Er' 3.619(2) 2_556
Er O12 1.909(5) .
Er O2 2.181(9) 2_556
Er O1 2.203(8) .
Er O2W 2.410(11) .
Er O1W 2.417(10) .
Er O10 2.436(15) .
Er O11 2.438(15) .
Er O9 2.444(7) .
Er O4 2.846(7) .
Er Er 3.650(2) 2_556
Na1 O6W 2.356(10) .
Na1 O3W 2.371(9) 7_455
Na1 O4W 2.395(9) .
Na1 O3W 2.402(9) .
Na1 O5W 2.458(10) .
Na1 O6 2.605(9) .
Na1 Na1 3.503(9) 7_455
Na1 Na2 4.111(6) 7_556
Na2 O4W 2.403(9) 7_556
Na2 O4W 2.403(9) 8
Na2 O7W 2.429(13) .
Na2 O7W 2.429(13) 2_656
Na2 O3 2.479(8) .
Na2 O3 2.479(8) 2_656
Na2 Na1 4.111(6) 7_556
Na2 Na1 4.111(6) 8
O3W Na1 2.371(9) 7_455
O4W Na2 2.403(9) 7_556
O8W O8W' 1.58(4) .
O2 Er' 2.041(9) 2_556
O2 Er 2.181(9) 2_556
O4 W1 2.3030(4) 2_556
O4 W2 2.328(6) 2_556
O4 Er' 2.406(6) 2_556
O4 Er 2.846(7) 2_556
O7 W1 1.962(7) 2_556
O8 W2 1.968(5) 2_556
O10 C1 1.264(17) .
O11 C2 1.258(19) .
O12 Er 1.909(5) 2_556
O12 Er' 2.148(9) 2_556
C1 O10 1.264(17) 6
C1 C2 1.45(4) .
C2 O11 1.258(19) 6
