#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:35:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179147 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/08/4310847.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_4310847
loop_
_publ_author_name
'Benny C. Chan'
'Zeric Hulvey'
'Kent D. Abney'
'Peter K. Dorhout'
_publ_section_title
;
 Synthesis and Characterization of AU2Se6 (A = K, Cs)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2453
_journal_page_last               2455
_journal_paper_doi               10.1021/ic0353209
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Cs Se6 U2'
_chemical_formula_weight         1082.73
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.046(2)
_cell_length_b                   5.559(3)
_cell_length_c                   24.237(12)
_cell_measurement_temperature    273(2)
_cell_volume                     545.1(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      273(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0910
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            1489
_diffrn_reflns_theta_full        23.19
_diffrn_reflns_theta_max         23.19
_diffrn_reflns_theta_min         3.36
_exptl_absorpt_coefficient_mu    52.919
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.596
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             886
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         4.329
_refine_diff_density_min         -2.871
_refine_diff_density_rms         0.578
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         262
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.206
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.197
_refine_ls_shift/su_mean         0.044
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0783P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1298
_reflns_number_gt                245
_reflns_number_total             262
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0353209si20031113_040055.cif
_cod_data_source_block           sad
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4310847
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.5000 0.0000 0.31374(5) 0.0133(7) Uani 1 4 d S . .
Se1 Se 0.0000 0.0000 0.22828(15) 0.0127(9) Uani 1 4 d S . .
Se2 Se 0.0000 0.2397(5) 0.38108(11) 0.0225(8) Uani 1 2 d S . .
Cs2 Cs -0.5000 0.5000 0.5000 0.094(4) Uani 0.704(15) 8 d SP . .
Cs1 Cs -0.5000 0.0000 0.5000 0.087(8) Uani 0.296(15) 8 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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
_geom_angle_publ_flag
Se1 U1 Se1 88.65(12) . 1_655 ?
Se1 U1 Se2 152.09(6) . 1_655 ?
Se1 U1 Se2 85.17(8) 1_655 1_655 ?
Se1 U1 Se2 152.09(6) . 2_655 ?
Se1 U1 Se2 85.17(8) 1_655 2_655 ?
Se2 U1 Se2 54.27(11) 1_655 2_655 ?
Se1 U1 Se2 85.17(8) . 2 ?
Se1 U1 Se2 152.09(6) 1_655 2 ?
Se2 U1 Se2 112.06(11) 1_655 2 ?
Se2 U1 Se2 87.68(9) 2_655 2 ?
Se1 U1 Se2 85.17(8) . . ?
Se1 U1 Se2 152.09(6) 1_655 . ?
Se2 U1 Se2 87.68(9) 1_655 . ?
Se2 U1 Se2 112.06(11) 2_655 . ?
Se2 U1 Se2 54.27(11) 2 . ?
Se1 U1 Se1 75.75(4) . 13_545 ?
Se1 U1 Se1 75.75(4) 1_655 13_545 ?
Se2 U1 Se1 128.35(6) 1_655 13_545 ?
Se2 U1 Se1 76.35(7) 2_655 13_545 ?
Se2 U1 Se1 76.35(7) 2 13_545 ?
Se2 U1 Se1 128.35(6) . 13_545 ?
Se1 U1 Se1 75.75(4) . 13 ?
Se1 U1 Se1 75.75(4) 1_655 13 ?
Se2 U1 Se1 76.35(7) 1_655 13 ?
Se2 U1 Se1 128.35(6) 2_655 13 ?
Se2 U1 Se1 128.35(6) 2 13 ?
Se2 U1 Se1 76.35(7) . 13 ?
Se1 U1 Se1 139.75(14) 13_545 13 ?
Se1 U1 U1 134.32(6) . 1_655 ?
Se1 U1 U1 45.68(6) 1_655 1_655 ?
Se2 U1 U1 46.16(4) 1_655 1_655 ?
Se2 U1 U1 46.16(4) 2_655 1_655 ?
Se2 U1 U1 133.84(4) 2 1_655 ?
Se2 U1 U1 133.84(4) . 1_655 ?
Se1 U1 U1 90.0 13_545 1_655 ?
Se1 U1 U1 90.0 13 1_655 ?
Se1 U1 U1 45.68(6) . 1_455 ?
Se1 U1 U1 134.32(6) 1_655 1_455 ?
Se2 U1 U1 133.84(4) 1_655 1_455 ?
Se2 U1 U1 133.84(4) 2_655 1_455 ?
Se2 U1 U1 46.16(4) 2 1_455 ?
Se2 U1 U1 46.16(4) . 1_455 ?
Se1 U1 U1 90.0 13_545 1_455 ?
Se1 U1 U1 90.0 13 1_455 ?
U1 U1 U1 180.0 1_655 1_455 ?
Se1 U1 Cs1 135.68(6) . 1_655 ?
Se1 U1 Cs1 135.68(6) 1_655 1_655 ?
Se2 U1 Cs1 56.03(6) 1_655 1_655 ?
Se2 U1 Cs1 56.03(6) 2_655 1_655 ?
Se2 U1 Cs1 56.03(6) 2 1_655 ?
Se2 U1 Cs1 56.03(6) . 1_655 ?
Se1 U1 Cs1 110.12(7) 13_545 1_655 ?
Se1 U1 Cs1 110.12(7) 13 1_655 ?
U1 U1 Cs1 90.0 1_655 1_655 ?
U1 U1 Cs1 90.0 1_455 1_655 ?
U1 Se1 U1 88.65(12) . 1_455 ?
U1 Se1 U1 104.25(4) . 13_545 ?
U1 Se1 U1 104.25(4) 1_455 13_545 ?
U1 Se1 U1 104.25(4) . 13 ?
U1 Se1 U1 104.25(4) 1_455 13 ?
U1 Se1 U1 139.75(14) 13_545 13 ?
Se2 Se2 U1 62.86(5) 2 1_455 ?
Se2 Se2 U1 62.86(5) 2 . ?
U1 Se2 U1 87.68(9) 1_455 . ?
Se2 Se2 Cs1 69.28(4) 2 1_655 ?
U1 Se2 Cs1 129.68(9) 1_455 1_655 ?
U1 Se2 Cs1 83.92(6) . 1_655 ?
Se2 Se2 Cs1 69.28(4) 2 . ?
U1 Se2 Cs1 83.92(6) 1_455 . ?
U1 Se2 Cs1 129.68(9) . . ?
Cs1 Se2 Cs1 65.01(6) 1_655 . ?
Se2 Se2 Cs2 112.34(4) 2 1_655 ?
U1 Se2 Cs2 164.68(8) 1_455 1_655 ?
U1 Se2 Cs2 103.20(4) . 1_655 ?
Cs1 Se2 Cs2 43.06(4) 1_655 1_655 ?
Cs1 Se2 Cs2 80.82(7) . 1_655 ?
Se2 Se2 Cs2 112.34(4) 2 . ?
U1 Se2 Cs2 103.20(4) 1_455 . ?
U1 Se2 Cs2 164.68(8) . . ?
Cs1 Se2 Cs2 80.82(7) 1_655 . ?
Cs1 Se2 Cs2 43.06(4) . . ?
Cs2 Se2 Cs2 64.20(6) 1_655 . ?
Cs1 Cs2 Cs1 180.0 1_565 . ?
Cs1 Cs2 Se2 67.66(4) 1_565 9_566 ?
Cs1 Cs2 Se2 112.34(4) . 9_566 ?
Cs1 Cs2 Se2 112.34(4) 1_565 10_556 ?
Cs1 Cs2 Se2 67.66(4) . 10_556 ?
Se2 Cs2 Se2 44.68(9) 9_566 10_556 ?
Cs1 Cs2 Se2 67.66(4) 1_565 9_466 ?
Cs1 Cs2 Se2 112.34(4) . 9_466 ?
Se2 Cs2 Se2 64.20(6) 9_566 9_466 ?
Se2 Cs2 Se2 81.59(8) 10_556 9_466 ?
Cs1 Cs2 Se2 112.34(4) 1_565 1_455 ?
Cs1 Cs2 Se2 67.66(4) . 1_455 ?
Se2 Cs2 Se2 180.0 9_566 1_455 ?
Se2 Cs2 Se2 135.32(9) 10_556 1_455 ?
Se2 Cs2 Se2 115.80(6) 9_466 1_455 ?
Cs1 Cs2 Se2 112.34(4) 1_565 10_456 ?
Cs1 Cs2 Se2 67.66(4) . 10_456 ?
Se2 Cs2 Se2 81.59(8) 9_566 10_456 ?
Se2 Cs2 Se2 64.20(6) 10_556 10_456 ?
Se2 Cs2 Se2 44.68(9) 9_466 10_456 ?
Se2 Cs2 Se2 98.41(8) 1_455 10_456 ?
Cs1 Cs2 Se2 112.34(4) 1_565 . ?
Cs1 Cs2 Se2 67.66(4) . . ?
Se2 Cs2 Se2 115.80(6) 9_566 . ?
Se2 Cs2 Se2 98.41(8) 10_556 . ?
Se2 Cs2 Se2 180.00(5) 9_466 . ?
Se2 Cs2 Se2 64.20(6) 1_455 . ?
Se2 Cs2 Se2 135.32(9) 10_456 . ?
Cs1 Cs2 Se2 67.66(4) 1_565 2_465 ?
Cs1 Cs2 Se2 112.34(4) . 2_465 ?
Se2 Cs2 Se2 135.32(9) 9_566 2_465 ?
Se2 Cs2 Se2 180.0 10_556 2_465 ?
Se2 Cs2 Se2 98.41(8) 9_466 2_465 ?
Se2 Cs2 Se2 44.68(9) 1_455 2_465 ?
Se2 Cs2 Se2 115.80(6) 10_456 2_465 ?
Se2 Cs2 Se2 81.59(8) . 2_465 ?
Cs1 Cs2 Se2 67.66(4) 1_565 2_565 ?
Cs1 Cs2 Se2 112.34(4) . 2_565 ?
Se2 Cs2 Se2 98.41(8) 9_566 2_565 ?
Se2 Cs2 Se2 115.80(6) 10_556 2_565 ?
Se2 Cs2 Se2 135.32(9) 9_466 2_565 ?
Se2 Cs2 Se2 81.59(8) 1_455 2_565 ?
Se2 Cs2 Se2 180.0 10_456 2_565 ?
Se2 Cs2 Se2 44.68(9) . 2_565 ?
Se2 Cs2 Se2 64.20(6) 2_465 2_565 ?
Cs1 Cs2 Cs2 90.0 1_565 1_655 ?
Cs1 Cs2 Cs2 90.0 . 1_655 ?
Se2 Cs2 Cs2 57.90(3) 9_566 1_655 ?
Se2 Cs2 Cs2 57.90(3) 10_556 1_655 ?
Se2 Cs2 Cs2 122.10(3) 9_466 1_655 ?
Se2 Cs2 Cs2 122.10(3) 1_455 1_655 ?
Se2 Cs2 Cs2 122.10(3) 10_456 1_655 ?
Se2 Cs2 Cs2 57.90(3) . 1_655 ?
Se2 Cs2 Cs2 122.10(3) 2_465 1_655 ?
Se2 Cs2 Cs2 57.90(3) 2_565 1_655 ?
Cs1 Cs2 Cs2 90.0 1_565 1_455 ?
Cs1 Cs2 Cs2 90.0 . 1_455 ?
Se2 Cs2 Cs2 122.10(3) 9_566 1_455 ?
Se2 Cs2 Cs2 122.10(3) 10_556 1_455 ?
Se2 Cs2 Cs2 57.90(3) 9_466 1_455 ?
Se2 Cs2 Cs2 57.90(3) 1_455 1_455 ?
Se2 Cs2 Cs2 57.90(3) 10_456 1_455 ?
Se2 Cs2 Cs2 122.10(3) . 1_455 ?
Se2 Cs2 Cs2 57.90(3) 2_465 1_455 ?
Se2 Cs2 Cs2 122.10(3) 2_565 1_455 ?
Cs2 Cs2 Cs2 180.0 1_655 1_455 ?
Cs2 Cs1 Cs2 180.0 1_545 . ?
Cs2 Cs1 Se2 110.72(4) 1_545 10_556 ?
Cs2 Cs1 Se2 69.28(4) . 10_556 ?
Cs2 Cs1 Se2 69.28(4) 1_545 9_556 ?
Cs2 Cs1 Se2 110.72(4) . 9_556 ?
Se2 Cs1 Se2 41.45(9) 10_556 9_556 ?
Cs2 Cs1 Se2 110.72(4) 1_545 10_456 ?
Cs2 Cs1 Se2 69.28(4) . 10_456 ?
Se2 Cs1 Se2 65.01(6) 10_556 10_456 ?
Se2 Cs1 Se2 80.09(7) 9_556 10_456 ?
Cs2 Cs1 Se2 69.28(4) 1_545 2_455 ?
Cs2 Cs1 Se2 110.72(4) . 2_455 ?
Se2 Cs1 Se2 180.0 10_556 2_455 ?
Se2 Cs1 Se2 138.55(9) 9_556 2_455 ?
Se2 Cs1 Se2 114.99(6) 10_456 2_455 ?
Cs2 Cs1 Se2 69.28(4) 1_545 9_456 ?
Cs2 Cs1 Se2 110.72(4) . 9_456 ?
Se2 Cs1 Se2 80.09(7) 10_556 9_456 ?
Se2 Cs1 Se2 65.01(6) 9_556 9_456 ?
Se2 Cs1 Se2 41.45(9) 10_456 9_456 ?
Se2 Cs1 Se2 99.91(7) 2_455 9_456 ?
Cs2 Cs1 Se2 110.72(4) 1_545 . ?
Cs2 Cs1 Se2 69.28(4) . . ?
Se2 Cs1 Se2 99.91(7) 10_556 . ?
Se2 Cs1 Se2 114.99(6) 9_556 . ?
Se2 Cs1 Se2 138.55(9) 10_456 . ?
Se2 Cs1 Se2 80.09(7) 2_455 . ?
Se2 Cs1 Se2 180.0 9_456 . ?
Cs2 Cs1 Se2 110.72(4) 1_545 1_455 ?
Cs2 Cs1 Se2 69.28(4) . 1_455 ?
Se2 Cs1 Se2 138.55(9) 10_556 1_455 ?
Se2 Cs1 Se2 180.0 9_556 1_455 ?
Se2 Cs1 Se2 99.91(7) 10_456 1_455 ?
Se2 Cs1 Se2 41.45(9) 2_455 1_455 ?
Se2 Cs1 Se2 114.99(6) 9_456 1_455 ?
Se2 Cs1 Se2 65.01(6) . 1_455 ?
Cs2 Cs1 Se2 69.28(4) 1_545 2 ?
Cs2 Cs1 Se2 110.72(4) . 2 ?
Se2 Cs1 Se2 114.99(6) 10_556 2 ?
Se2 Cs1 Se2 99.91(7) 9_556 2 ?
Se2 Cs1 Se2 180.00(5) 10_456 2 ?
Se2 Cs1 Se2 65.01(6) 2_455 2 ?
Se2 Cs1 Se2 138.55(9) 9_456 2 ?
Se2 Cs1 Se2 41.45(9) . 2 ?
Se2 Cs1 Se2 80.09(7) 1_455 2 ?
Cs2 Cs1 Cs1 90.0 1_545 1_655 ?
Cs2 Cs1 Cs1 90.0 . 1_655 ?
Se2 Cs1 Cs1 57.50(3) 10_556 1_655 ?
Se2 Cs1 Cs1 57.50(3) 9_556 1_655 ?
Se2 Cs1 Cs1 122.50(3) 10_456 1_655 ?
Se2 Cs1 Cs1 122.50(3) 2_455 1_655 ?
Se2 Cs1 Cs1 122.50(3) 9_456 1_655 ?
Se2 Cs1 Cs1 57.50(3) . 1_655 ?
Se2 Cs1 Cs1 122.50(3) 1_455 1_655 ?
Se2 Cs1 Cs1 57.50(3) 2 1_655 ?
Cs2 Cs1 Cs1 90.0 1_545 1_455 ?
Cs2 Cs1 Cs1 90.0 . 1_455 ?
Se2 Cs1 Cs1 122.50(3) 10_556 1_455 ?
Se2 Cs1 Cs1 122.50(3) 9_556 1_455 ?
Se2 Cs1 Cs1 57.50(3) 10_456 1_455 ?
Se2 Cs1 Cs1 57.50(3) 2_455 1_455 ?
Se2 Cs1 Cs1 57.50(3) 9_456 1_455 ?
Se2 Cs1 Cs1 122.50(3) . 1_455 ?
Se2 Cs1 Cs1 57.50(3) 1_455 1_455 ?
Se2 Cs1 Cs1 122.50(3) 2 1_455 ?
Cs1 Cs1 Cs1 180.0 1_655 1_455 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 Se1 2.896(3) . ?
U1 Se1 2.896(3) 1_655 ?
U1 Se2 2.921(2) 1_655 ?
U1 Se2 2.921(2) 2_655 ?
U1 Se2 2.921(2) 2 ?
U1 Se2 2.921(2) . ?
U1 Se1 2.9601(19) 13_545 ?
U1 Se1 2.9601(19) 13 ?
U1 U1 4.046(2) 1_655 ?
U1 U1 4.046(2) 1_455 ?
U1 Cs1 4.514(3) 1_655 ?
Se1 U1 2.896(3) 1_455 ?
Se1 U1 2.9601(19) 13_545 ?
Se1 U1 2.9601(19) 13 ?
Se2 Se2 2.665(6) 2 ?
Se2 U1 2.921(2) 1_455 ?
Se2 Cs1 3.765(3) 1_655 ?
Se2 Cs1 3.765(3) . ?
Se2 Cs2 3.807(3) 1_655 ?
Se2 Cs2 3.807(3) . ?
Cs2 Cs1 2.7794(14) 1_565 ?
Cs2 Cs1 2.7794(14) . ?
Cs2 Se2 3.807(3) 9_566 ?
Cs2 Se2 3.807(3) 10_556 ?
Cs2 Se2 3.807(3) 9_466 ?
Cs2 Se2 3.807(3) 1_455 ?
Cs2 Se2 3.807(3) 10_456 ?
Cs2 Se2 3.807(3) 2_465 ?
Cs2 Se2 3.807(3) 2_565 ?
Cs2 Cs2 4.046(2) 1_655 ?
Cs2 Cs2 4.046(2) 1_455 ?
Cs1 Cs2 2.7794(14) 1_545 ?
Cs1 Se2 3.765(3) 10_556 ?
Cs1 Se2 3.765(3) 9_556 ?
Cs1 Se2 3.765(3) 10_456 ?
Cs1 Se2 3.765(3) 2_455 ?
Cs1 Se2 3.765(3) 9_456 ?
Cs1 Se2 3.765(3) 1_455 ?
Cs1 Se2 3.765(3) 2 ?
Cs1 Cs1 4.046(2) 1_655 ?
Cs1 Cs1 4.046(2) 1_455 ?
