#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/87/2208747.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2208747
loop_
_publ_author_name
'Bobev, Svilen'
'Bauer, Eric D.'
'Sarrao, John L.'
_publ_section_title
;
 Copper deficiency in UCu~5{-~x}Sn [x = 0.37(1)]
;
_journal_coeditor_code           WM2010
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i106
_journal_page_last               i108
_journal_paper_doi               10.1107/S1600536806011159
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'U Cu4.63 Sn'
_chemical_formula_moiety         'Cu4.63 Sn U'
_chemical_formula_sum            'Cu4.63 Sn U'
_chemical_formula_weight         650.59
_chemical_name_systematic
;
uranium pentacopper stannide
;
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_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                120.00
_cell_formula_units_Z            4
_cell_length_a                   4.9855(3)
_cell_length_b                   4.9855(3)
_cell_length_c                   20.317(2)
_cell_measurement_reflns_used    3213
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     437.33(6)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP in SHELXTL'
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2001)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            3213
_diffrn_reflns_theta_full        28.22
_diffrn_reflns_theta_max         28.22
_diffrn_reflns_theta_min         2.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    64.362
_exptl_absorpt_correction_T_max  0.076
_exptl_absorpt_correction_T_min  0.027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    9.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1105
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.816
_refine_diff_density_min         -2.069
_refine_ls_extinction_coef       0.0068(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_reflns         254
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0287
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0559P)²+0.4422P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0788
_reflns_number_gt                225
_reflns_number_total             254
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wm2010.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        437.32(6)
_cod_database_code               2208747
_cod_database_fobs_code          2208747
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
U U1 0.3333 0.6667 0.7500 0.0161(4) Uani d S 1
U U2 0.0000 0.0000 0.0000 0.0146(4) Uani d S 1
Sn Sn 0.3333 0.6667 0.58458(7) 0.0164(4) Uani d S 1
Cu Cu1 0.16600(19) 0.3320(4) 0.14724(7) 0.0137(6) Uani d SP 0.896(8)
Cu Cu2 0.3333 0.6667 0.04440(11) 0.0154(5) Uani d S 1
Cu Cu3 0.3333 0.6667 0.2500 0.0105(12) Uani d SP 0.879(18)
Cu Cu4 0.0000 0.0000 0.2500 0.0174(7) Uani d S 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Cu3 U1 Cu4 13_666 13_566 180.0
Cu3 U1 Cu4 13_666 13_666 60.0
Cu4 U1 Cu4 13_566 13_666 120.0
Cu3 U1 Cu4 13_666 13_556 60.0
Cu4 U1 Cu4 13_566 13_556 120.0
Cu4 U1 Cu4 13_666 13_556 120.0
Cu3 U1 Cu3 13_666 13_676 120.0
Cu4 U1 Cu3 13_566 13_676 60.0
Cu4 U1 Cu3 13_666 13_676 60.0
Cu4 U1 Cu3 13_556 13_676 180.0
Cu3 U1 Cu3 13_666 13_566 120.0
Cu4 U1 Cu3 13_566 13_566 60.0
Cu4 U1 Cu3 13_666 13_566 180.0
Cu4 U1 Cu3 13_556 13_566 60.0
Cu3 U1 Cu3 13_676 13_566 120.0
Cu3 U1 Cu1 13_666 6 89.90(3)
Cu4 U1 Cu1 13_566 6 90.10(3)
Cu4 U1 Cu1 13_666 6 131.53(2)
Cu4 U1 Cu1 13_556 6 48.33(2)
Cu3 U1 Cu1 13_676 6 131.67(2)
Cu3 U1 Cu1 13_566 6 48.47(2)
Cu3 U1 Cu1 13_666 15_666 89.90(3)
Cu4 U1 Cu1 13_566 15_666 90.10(3)
Cu4 U1 Cu1 13_666 15_666 48.33(2)
Cu4 U1 Cu1 13_556 15_666 131.53(2)
Cu3 U1 Cu1 13_676 15_666 48.47(2)
Cu3 U1 Cu1 13_566 15_666 131.67(2)
Cu1 U1 Cu1 6 15_666 179.80(6)
Cu3 U1 Cu1 13_666 14_566 131.67(2)
Cu4 U1 Cu1 13_566 14_566 48.33(2)
Cu4 U1 Cu1 13_666 14_566 90.10(3)
Cu4 U1 Cu1 13_556 14_566 131.53(3)
Cu3 U1 Cu1 13_676 14_566 48.47(2)
Cu3 U1 Cu1 13_566 14_566 89.90(3)
Cu1 U1 Cu1 6 14_566 134.921(13)
Cu1 U1 Cu1 15_666 14_566 45.27(6)
Cu3 U1 Cu1 13_666 4_565 131.67(2)
Cu4 U1 Cu1 13_566 4_565 48.33(2)
Cu4 U1 Cu1 13_666 4_565 131.53(3)
Cu4 U1 Cu1 13_556 4_565 90.10(3)
Cu3 U1 Cu1 13_676 4_565 89.90(3)
Cu3 U1 Cu1 13_566 4_565 48.47(2)
Cu1 U1 Cu1 6 4_565 45.27(6)
Cu1 U1 Cu1 15_666 4_565 134.921(13)
Cu1 U1 Cu1 14_566 4_565 96.66(5)
Cu3 U1 Cu1 13_666 13_566 131.67(2)
Cu4 U1 Cu1 13_566 13_566 48.33(2)
Cu4 U1 Cu1 13_666 13_566 131.53(3)
Cu4 U1 Cu1 13_556 13_566 90.10(3)
Cu3 U1 Cu1 13_676 13_566 89.90(3)
Cu3 U1 Cu1 13_566 13_566 48.47(2)
Cu1 U1 Cu1 6 13_566 96.94(5)
Cu1 U1 Cu1 15_666 13_566 83.20(3)
Cu1 U1 Cu1 14_566 13_566 44.89(6)
Cu1 U1 Cu1 4_565 13_566 79.89(4)
Cu3 U1 Cu1 13_666 5_565 131.67(2)
Cu4 U1 Cu1 13_566 5_565 48.33(2)
Cu4 U1 Cu1 13_666 5_565 90.10(3)
Cu4 U1 Cu1 13_556 5_565 131.53(3)
Cu3 U1 Cu1 13_676 5_565 48.47(2)
Cu3 U1 Cu1 13_566 5_565 89.90(3)
Cu1 U1 Cu1 6 5_565 83.20(3)
Cu1 U1 Cu1 15_666 5_565 96.94(5)
Cu1 U1 Cu1 14_566 5_565 79.89(4)
Cu1 U1 Cu1 4_565 5_565 44.89(6)
Cu1 U1 Cu1 13_566 5_565 96.66(5)
Cu2 U2 Cu2 13 13_665 111.46(4)
Cu2 U2 Cu2 13 1_445 68.54(4)
Cu2 U2 Cu2 13_665 1_445 180.00(8)
Cu2 U2 Cu2 13 . 180.0
Cu2 U2 Cu2 13_665 . 68.54(4)
Cu2 U2 Cu2 1_445 . 111.46(4)
Cu2 U2 Cu2 13 13_565 111.46(4)
Cu2 U2 Cu2 13_665 13_565 111.46(4)
Cu2 U2 Cu2 1_445 13_565 68.54(4)
Cu2 U2 Cu2 . 13_565 68.54(4)
Cu2 U2 Cu2 13 1_545 68.54(4)
Cu2 U2 Cu2 13_665 1_545 68.54(4)
Cu2 U2 Cu2 1_445 1_545 111.46(4)
Cu2 U2 Cu2 . 1_545 111.46(4)
Cu2 U2 Cu2 13_565 1_545 180.00(8)
Cu2 U2 Cu1 13 13 47.00(5)
Cu2 U2 Cu1 13_665 13 86.36(4)
Cu2 U2 Cu1 1_445 13 93.64(4)
Cu2 U2 Cu1 . 13 133.00(5)
Cu2 U2 Cu1 13_565 13 86.36(4)
Cu2 U2 Cu1 1_545 13 93.64(4)
Cu2 U2 Cu1 13 15 86.36(4)
Cu2 U2 Cu1 13_665 15 86.36(4)
Cu2 U2 Cu1 1_445 15 93.64(4)
Cu2 U2 Cu1 . 15 93.64(4)
Cu2 U2 Cu1 13_565 15 47.00(5)
Cu2 U2 Cu1 1_545 15 133.00(5)
Cu1 U2 Cu1 13 15 43.95(5)
Cu2 U2 Cu1 13 3 93.64(4)
Cu2 U2 Cu1 13_665 3 93.64(4)
Cu2 U2 Cu1 1_445 3 86.36(4)
Cu2 U2 Cu1 . 3 86.36(4)
Cu2 U2 Cu1 13_565 3 133.00(5)
Cu2 U2 Cu1 1_545 3 47.00(5)
Cu1 U2 Cu1 13 3 136.05(5)
Cu1 U2 Cu1 15 3 180.00(2)
Cu2 U2 Cu1 13 14 86.36(4)
Cu2 U2 Cu1 13_665 14 47.00(5)
Cu2 U2 Cu1 1_445 14 133.00(5)
Cu2 U2 Cu1 . 14 93.64(4)
Cu2 U2 Cu1 13_565 14 86.36(4)
Cu2 U2 Cu1 1_545 14 93.64(4)
Cu1 U2 Cu1 13 14 43.95(5)
Cu1 U2 Cu1 15 14 43.95(5)
Cu1 U2 Cu1 3 14 136.05(5)
Cu2 U2 Cu1 13 2 93.64(4)
Cu2 U2 Cu1 13_665 2 133.00(5)
Cu2 U2 Cu1 1_445 2 47.00(5)
Cu2 U2 Cu1 . 2 86.36(4)
Cu2 U2 Cu1 13_565 2 93.64(4)
Cu2 U2 Cu1 1_545 2 86.36(4)
Cu1 U2 Cu1 13 2 136.05(5)
Cu1 U2 Cu1 15 2 136.05(5)
Cu1 U2 Cu1 3 2 43.95(5)
Cu1 U2 Cu1 14 2 180.00(9)
Cu2 U2 Cu1 13 . 133.00(5)
Cu2 U2 Cu1 13_665 . 93.64(4)
Cu2 U2 Cu1 1_445 . 86.36(4)
Cu2 U2 Cu1 . . 47.00(5)
Cu2 U2 Cu1 13_565 . 93.64(4)
Cu2 U2 Cu1 1_545 . 86.36(4)
Cu1 U2 Cu1 13 . 180.00(3)
Cu1 U2 Cu1 15 . 136.05(5)
Cu1 U2 Cu1 3 . 43.95(5)
Cu1 U2 Cu1 14 . 136.05(5)
Cu1 U2 Cu1 2 . 43.95(5)
Cu2 Sn Cu1 16_556 6_665 117.05(4)
Cu2 Sn Cu1 16_556 5_565 117.05(4)
Cu1 Sn Cu1 6_665 5_565 53.11(7)
Cu2 Sn Cu1 16_556 4_565 117.05(4)
Cu1 Sn Cu1 6_665 4_565 100.94(5)
Cu1 Sn Cu1 5_565 4_565 52.66(7)
Cu2 Sn Cu1 16_556 6 117.05(4)
Cu1 Sn Cu1 6_665 6 125.89(8)
Cu1 Sn Cu1 5_565 6 100.94(5)
Cu1 Sn Cu1 4_565 6 53.11(7)
Cu2 Sn Cu1 16_556 4_665 117.05(4)
Cu1 Sn Cu1 6_665 4_665 52.66(7)
Cu1 Sn Cu1 5_565 4_665 100.94(5)
Cu1 Sn Cu1 4_565 4_665 125.89(8)
Cu1 Sn Cu1 6 4_665 100.94(5)
Cu2 Sn Cu1 16_556 5 117.05(4)
Cu1 Sn Cu1 6_665 5 100.94(5)
Cu1 Sn Cu1 5_565 5 125.89(8)
Cu1 Sn Cu1 4_565 5 100.94(5)
Cu1 Sn Cu1 6 5 52.66(7)
Cu1 Sn Cu1 4_665 5 53.11(7)
Cu2 Sn Cu2 16_556 4_665 74.16(5)
Cu1 Sn Cu2 6_665 4_665 97.01(4)
Cu1 Sn Cu2 5_565 4_665 150.12(4)
Cu1 Sn Cu2 4_565 4_665 150.12(4)
Cu1 Sn Cu2 6 4_665 97.01(4)
Cu1 Sn Cu2 4_665 4_665 51.91(4)
Cu1 Sn Cu2 5 4_665 51.91(4)
Cu2 Sn Cu2 16_556 4_565 74.17(5)
Cu1 Sn Cu2 6_665 4_565 150.12(4)
Cu1 Sn Cu2 5_565 4_565 97.01(4)
Cu1 Sn Cu2 4_565 4_565 51.91(4)
Cu1 Sn Cu2 6 4_565 51.91(4)
Cu1 Sn Cu2 4_665 4_565 150.12(4)
Cu1 Sn Cu2 5 4_565 97.01(4)
Cu2 Sn Cu2 4_665 4_565 112.85(4)
Cu2 Sn Cu2 16_556 4_675 74.17(5)
Cu1 Sn Cu2 6_665 4_675 51.91(4)
Cu1 Sn Cu2 5_565 4_675 51.91(4)
Cu1 Sn Cu2 4_565 4_675 97.01(4)
Cu1 Sn Cu2 6 4_675 150.12(4)
Cu1 Sn Cu2 4_665 4_675 97.01(4)
Cu1 Sn Cu2 5 4_675 150.12(4)
Cu2 Sn Cu2 4_665 4_675 112.85(4)
Cu2 Sn Cu2 4_565 4_675 112.85(4)
Cu2 Sn U2 16_556 4 59.16(2)
Cu1 Sn U2 6_665 4 153.44(3)
Cu1 Sn U2 5_565 4 153.44(3)
Cu1 Sn U2 4_565 4 103.59(3)
Cu1 Sn U2 6 4 64.53(3)
Cu1 Sn U2 4_665 4 103.59(3)
Cu1 Sn U2 5 4 64.53(3)
Cu2 Sn U2 4_665 4 56.43(2)
Cu2 Sn U2 4_565 4 56.43(2)
Cu2 Sn U2 4_675 4 133.33(6)
Cu2 Sn U2 16_556 4_565 59.16(2)
Cu1 Sn U2 6_665 4_565 103.59(3)
Cu1 Sn U2 5_565 4_565 64.53(3)
Cu1 Sn U2 4_565 4_565 64.53(3)
Cu1 Sn U2 6 4_565 103.59(3)
Cu1 Sn U2 4_665 4_565 153.44(4)
Cu1 Sn U2 5 4_565 153.44(4)
Cu2 Sn U2 4_665 4_565 133.33(6)
Cu2 Sn U2 4_565 4_565 56.43(2)
Cu2 Sn U2 4_675 4_565 56.43(2)
U2 Sn U2 4 4_565 96.08(3)
Cu1 Cu1 Cu1 2 3 60.0
Cu1 Cu1 Cu1 2 2_665 179.997(2)
Cu1 Cu1 Cu1 3 2_665 120.0
Cu1 Cu1 Cu1 2 3_565 120.0
Cu1 Cu1 Cu1 3 3_565 179.997(2)
Cu1 Cu1 Cu1 2_665 3_565 60.0
Cu1 Cu1 Cu4 2 . 60.65(3)
Cu1 Cu1 Cu4 3 . 60.65(3)
Cu1 Cu1 Cu4 2_665 . 119.35(3)
Cu1 Cu1 Cu4 3_565 . 119.35(3)
Cu1 Cu1 Cu3 2 . 119.53(3)
Cu1 Cu1 Cu3 3 . 119.53(3)
Cu1 Cu1 Cu3 2_665 . 60.47(3)
Cu1 Cu1 Cu3 3_565 . 60.47(3)
Cu4 Cu1 Cu3 . . 69.16(4)
Cu1 Cu1 Cu2 2 . 119.51(4)
Cu1 Cu1 Cu2 3 . 119.51(4)
Cu1 Cu1 Cu2 2_665 . 60.49(4)
Cu1 Cu1 Cu2 3_565 . 60.49(4)
Cu4 Cu1 Cu2 . . 179.81(7)
Cu3 Cu1 Cu2 . . 110.65(7)
Cu1 Cu1 Sn 2 4_664 116.56(3)
Cu1 Cu1 Sn 3 4_664 63.67(3)
Cu1 Cu1 Sn 2_665 4_664 63.44(3)
Cu1 Cu1 Sn 3_565 4_664 116.33(3)
Cu4 Cu1 Sn . 4_664 112.09(4)
Cu3 Cu1 Sn . 4_664 111.89(4)
Cu2 Cu1 Sn . 4_664 67.96(4)
Cu1 Cu1 Sn 2 4_564 63.67(3)
Cu1 Cu1 Sn 3 4_564 116.56(3)
Cu1 Cu1 Sn 2_665 4_564 116.33(3)
Cu1 Cu1 Sn 3_565 4_564 63.44(3)
Cu4 Cu1 Sn . 4_564 112.09(4)
Cu3 Cu1 Sn . 4_564 111.89(4)
Cu2 Cu1 Sn . 4_564 67.96(4)
Sn Cu1 Sn 4_664 4_564 125.89(8)
Cu1 Cu1 U1 2 13_666 112.64(3)
Cu1 Cu1 U1 3 13_666 67.56(3)
Cu1 Cu1 U1 2_665 13_666 67.37(3)
Cu1 Cu1 U1 3_565 13_666 112.45(3)
Cu4 Cu1 U1 . 13_666 58.11(2)
Cu3 Cu1 U1 . 13_666 58.06(2)
Cu2 Cu1 U1 . 13_666 121.81(4)
Sn Cu1 U1 4_664 13_666 67.00(3)
Sn Cu1 U1 4_564 13_666 167.11(5)
Cu1 Cu1 U1 2 13_566 67.56(3)
Cu1 Cu1 U1 3 13_566 112.64(3)
Cu1 Cu1 U1 2_665 13_566 112.45(3)
Cu1 Cu1 U1 3_565 13_566 67.37(3)
Cu4 Cu1 U1 . 13_566 58.11(2)
Cu3 Cu1 U1 . 13_566 58.06(2)
Cu2 Cu1 U1 . 13_566 121.81(4)
Sn Cu1 U1 4_664 13_566 167.11(5)
Sn Cu1 U1 4_564 13_566 67.00(3)
U1 Cu1 U1 13_666 13_566 100.11(4)
Cu1 Cu1 U2 2 . 68.02(2)
Cu1 Cu1 U2 3 . 68.02(2)
Cu1 Cu1 U2 2_665 . 111.98(2)
Cu1 Cu1 U2 3_565 . 111.98(2)
Cu4 Cu1 U2 . . 119.92(6)
Cu3 Cu1 U2 . . 170.91(6)
Cu2 Cu1 U2 . . 60.27(4)
Sn Cu1 U2 4_664 . 65.84(4)
Sn Cu1 U2 4_564 . 65.84(4)
U1 Cu1 U2 13_666 . 125.44(3)
U1 Cu1 U2 13_566 . 125.44(3)
Cu1 Cu2 Cu1 3_565 2_665 59.02(7)
Cu1 Cu2 Cu1 3_565 . 59.02(7)
Cu1 Cu2 Cu1 2_665 . 59.02(7)
Cu1 Cu2 Sn 3_565 16_556 145.33(4)
Cu1 Cu2 Sn 2_665 16_556 145.33(4)
Cu1 Cu2 Sn . 16_556 145.33(4)
Cu1 Cu2 Sn 3_565 4_664 108.83(8)
Cu1 Cu2 Sn 2_665 4_664 60.13(4)
Cu1 Cu2 Sn . 4_664 60.13(4)
Sn Cu2 Sn 16_556 4_664 105.83(5)
Cu1 Cu2 Sn 3_565 4_674 60.13(4)
Cu1 Cu2 Sn 2_665 4_674 60.13(4)
Cu1 Cu2 Sn . 4_674 108.83(8)
Sn Cu2 Sn 16_556 4_674 105.83(5)
Sn Cu2 Sn 4_664 4_674 112.85(4)
Cu1 Cu2 Sn 3_565 4_564 60.13(4)
Cu1 Cu2 Sn 2_665 4_564 108.83(8)
Cu1 Cu2 Sn . 4_564 60.13(4)
Sn Cu2 Sn 16_556 4_564 105.83(5)
Sn Cu2 Sn 4_664 4_564 112.85(4)
Sn Cu2 Sn 4_674 4_564 112.85(4)
Cu1 Cu2 U2 3_565 1_565 72.73(4)
Cu1 Cu2 U2 2_665 1_565 121.15(4)
Cu1 Cu2 U2 . 1_565 121.15(4)
Sn Cu2 U2 16_556 1_565 72.60(4)
Sn Cu2 U2 4_664 1_565 178.43(9)
Sn Cu2 U2 4_674 1_565 67.825(12)
Sn Cu2 U2 4_564 1_565 67.825(12)
Cu1 Cu2 U2 3_565 . 121.15(4)
Cu1 Cu2 U2 2_665 . 121.15(4)
Cu1 Cu2 U2 . . 72.73(4)
Sn Cu2 U2 16_556 . 72.60(4)
Sn Cu2 U2 4_664 . 67.826(12)
Sn Cu2 U2 4_674 . 178.43(9)
Sn Cu2 U2 4_564 . 67.826(12)
U2 Cu2 U2 1_565 . 111.46(4)
Cu1 Cu2 U2 3_565 1_665 121.15(4)
Cu1 Cu2 U2 2_665 1_665 72.73(4)
Cu1 Cu2 U2 . 1_665 121.15(4)
Sn Cu2 U2 16_556 1_665 72.60(4)
Sn Cu2 U2 4_664 1_665 67.826(12)
Sn Cu2 U2 4_674 1_665 67.826(12)
Sn Cu2 U2 4_564 1_665 178.43(9)
U2 Cu2 U2 1_565 1_665 111.46(4)
U2 Cu2 U2 . 1_665 111.46(4)
Cu1 Cu3 Cu1 . 18_566 146.94(3)
Cu1 Cu3 Cu1 . 3_565 59.06(6)
Cu1 Cu3 Cu1 18_566 3_565 110.63(7)
Cu1 Cu3 Cu1 . 17_666 146.94(3)
Cu1 Cu3 Cu1 18_566 17_666 59.06(6)
Cu1 Cu3 Cu1 3_565 17_666 146.94(3)
Cu1 Cu3 Cu1 . 16_556 110.62(7)
Cu1 Cu3 Cu1 18_566 16_556 59.06(6)
Cu1 Cu3 Cu1 3_565 16_556 146.94(3)
Cu1 Cu3 Cu1 17_666 16_556 59.06(6)
Cu1 Cu3 Cu1 . 2_665 59.06(6)
Cu1 Cu3 Cu1 18_566 2_665 146.94(3)
Cu1 Cu3 Cu1 3_565 2_665 59.06(6)
Cu1 Cu3 Cu1 17_666 2_665 110.63(7)
Cu1 Cu3 Cu1 16_556 2_665 146.94(3)
Cu1 Cu3 U1 . 13_666 73.468(15)
Cu1 Cu3 U1 18_566 13_666 124.69(4)
Cu1 Cu3 U1 3_565 13_666 124.69(4)
Cu1 Cu3 U1 17_666 13_666 73.468(15)
Cu1 Cu3 U1 16_556 13_666 73.468(15)
Cu1 Cu3 U1 2_665 13_666 73.468(15)
Cu1 Cu3 Cu4 . 1_565 106.532(15)
Cu1 Cu3 Cu4 18_566 1_565 55.31(4)
Cu1 Cu3 Cu4 3_565 1_565 55.31(4)
Cu1 Cu3 Cu4 17_666 1_565 106.532(15)
Cu1 Cu3 Cu4 16_556 1_565 106.532(15)
Cu1 Cu3 Cu4 2_665 1_565 106.532(15)
U1 Cu3 Cu4 13_666 1_565 180.0
Cu1 Cu3 Cu4 . 1_665 106.532(15)
Cu1 Cu3 Cu4 18_566 1_665 106.532(15)
Cu1 Cu3 Cu4 3_565 1_665 106.532(15)
Cu1 Cu3 Cu4 17_666 1_665 55.31(4)
Cu1 Cu3 Cu4 16_556 1_665 106.532(15)
Cu1 Cu3 Cu4 2_665 1_665 55.31(4)
U1 Cu3 Cu4 13_666 1_665 60.0
Cu4 Cu3 Cu4 1_565 1_665 120.0
Cu1 Cu3 Cu4 . . 55.31(4)
Cu1 Cu3 Cu4 18_566 . 106.532(15)
Cu1 Cu3 Cu4 3_565 . 106.532(15)
Cu1 Cu3 Cu4 17_666 . 106.532(15)
Cu1 Cu3 Cu4 16_556 . 55.31(4)
Cu1 Cu3 Cu4 2_665 . 106.532(15)
U1 Cu3 Cu4 13_666 . 60.0
Cu4 Cu3 Cu4 1_565 . 120.0
Cu4 Cu3 Cu4 1_665 . 120.0
Cu1 Cu3 U1 . 13_566 73.468(15)
Cu1 Cu3 U1 18_566 13_566 73.468(15)
Cu1 Cu3 U1 3_565 13_566 73.468(15)
Cu1 Cu3 U1 17_666 13_566 124.69(4)
Cu1 Cu3 U1 16_556 13_566 73.468(15)
Cu1 Cu3 U1 2_665 13_566 124.69(4)
U1 Cu3 U1 13_666 13_566 120.0
Cu4 Cu3 U1 1_565 13_566 60.0
Cu4 Cu3 U1 1_665 13_566 180.0
Cu4 Cu3 U1 . 13_566 60.0
Cu1 Cu3 U1 . 13_676 124.69(4)
Cu1 Cu3 U1 18_566 13_676 73.468(15)
Cu1 Cu3 U1 3_565 13_676 73.468(15)
Cu1 Cu3 U1 17_666 13_676 73.468(15)
Cu1 Cu3 U1 16_556 13_676 124.69(4)
Cu1 Cu3 U1 2_665 13_676 73.468(15)
U1 Cu3 U1 13_666 13_676 120.0
Cu4 Cu3 U1 1_565 13_676 60.0
Cu4 Cu3 U1 1_665 13_676 60.0
Cu4 Cu3 U1 . 13_676 180.0
U1 Cu3 U1 13_566 13_676 120.0
Cu1 Cu4 Cu1 . 16_556 111.05(7)
Cu1 Cu4 Cu1 . 2 58.71(6)
Cu1 Cu4 Cu1 16_556 2 147.12(3)
Cu1 Cu4 Cu1 . 18_556 147.12(3)
Cu1 Cu4 Cu1 16_556 18_556 58.71(6)
Cu1 Cu4 Cu1 2 18_556 147.12(3)
Cu1 Cu4 Cu1 . 3 58.71(6)
Cu1 Cu4 Cu1 16_556 3 147.12(3)
Cu1 Cu4 Cu1 2 3 58.71(6)
Cu1 Cu4 Cu1 18_556 3 111.05(7)
Cu1 Cu4 Cu1 . 17_556 147.12(3)
Cu1 Cu4 Cu1 16_556 17_556 58.71(6)
Cu1 Cu4 Cu1 2 17_556 111.05(7)
Cu1 Cu4 Cu1 18_556 17_556 58.71(6)
Cu1 Cu4 Cu1 3 17_556 147.12(3)
Cu1 Cu4 Cu3 . 1_445 106.440(15)
Cu1 Cu4 Cu3 16_556 1_445 106.440(15)
Cu1 Cu4 Cu3 2 1_445 55.53(4)
Cu1 Cu4 Cu3 18_556 1_445 106.440(15)
Cu1 Cu4 Cu3 3 1_445 106.440(15)
Cu1 Cu4 Cu3 17_556 1_445 55.53(4)
Cu1 Cu4 U1 . 13_666 73.560(15)
Cu1 Cu4 U1 16_556 13_666 73.560(15)
Cu1 Cu4 U1 2 13_666 124.47(4)
Cu1 Cu4 U1 18_556 13_666 73.560(15)
Cu1 Cu4 U1 3 13_666 73.560(15)
Cu1 Cu4 U1 17_556 13_666 124.47(4)
Cu3 Cu4 U1 1_445 13_666 180.0
Cu1 Cu4 U1 . 13_556 124.47(4)
Cu1 Cu4 U1 16_556 13_556 124.47(4)
Cu1 Cu4 U1 2 13_556 73.560(15)
Cu1 Cu4 U1 18_556 13_556 73.560(15)
Cu1 Cu4 U1 3 13_556 73.560(15)
Cu1 Cu4 U1 17_556 13_556 73.560(15)
Cu3 Cu4 U1 1_445 13_556 60.0
U1 Cu4 U1 13_666 13_556 120.0
Cu1 Cu4 Cu3 . . 55.53(4)
Cu1 Cu4 Cu3 16_556 . 55.53(4)
Cu1 Cu4 Cu3 2 . 106.440(15)
Cu1 Cu4 Cu3 18_556 . 106.440(15)
Cu1 Cu4 Cu3 3 . 106.440(15)
Cu1 Cu4 Cu3 17_556 . 106.440(15)
Cu3 Cu4 Cu3 1_445 . 120.0
U1 Cu4 Cu3 13_666 . 60.0
U1 Cu4 Cu3 13_556 . 180.0
Cu1 Cu4 Cu3 . 1_545 106.440(15)
Cu1 Cu4 Cu3 16_556 1_545 106.440(15)
Cu1 Cu4 Cu3 2 1_545 106.440(15)
Cu1 Cu4 Cu3 18_556 1_545 55.53(4)
Cu1 Cu4 Cu3 3 1_545 55.53(4)
Cu1 Cu4 Cu3 17_556 1_545 106.440(15)
Cu3 Cu4 Cu3 1_445 1_545 120.0
U1 Cu4 Cu3 13_666 1_545 60.0
U1 Cu4 Cu3 13_556 1_545 60.0
Cu3 Cu4 Cu3 . 1_545 120.0
Cu1 Cu4 U1 . 13_566 73.560(15)
Cu1 Cu4 U1 16_556 13_566 73.560(15)
Cu1 Cu4 U1 2 13_566 73.560(15)
Cu1 Cu4 U1 18_556 13_566 124.47(4)
Cu1 Cu4 U1 3 13_566 124.47(4)
Cu1 Cu4 U1 17_556 13_566 73.560(15)
Cu3 Cu4 U1 1_445 13_566 60.0
U1 Cu4 U1 13_666 13_566 120.0
U1 Cu4 U1 13_556 13_566 120.0
Cu3 Cu4 U1 . 13_566 60.0
Cu3 Cu4 U1 1_545 13_566 180.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
U1 Cu3 13_666 2.87836(17) y
U1 Cu4 13_566 2.87838(17) y
U1 Cu4 13_666 2.87838(17) ?
U1 Cu4 13_556 2.87838(17) ?
U1 Cu3 13_676 2.87839(17) ?
U1 Cu3 13_566 2.87839(17) ?
U1 Cu1 6 3.2516(9) y
U1 Cu1 15_666 3.2516(9) ?
U1 Cu1 14_566 3.2516(9) ?
U1 Cu1 4_565 3.2516(9) ?
U1 Cu1 13_566 3.2516(9) ?
U1 Cu1 5_565 3.2516(9) ?
U2 Cu2 13 3.0164(7) y
U2 Cu2 13_665 3.0164(7) ?
U2 Cu2 1_445 3.0164(7) ?
U2 Cu2 . 3.0164(7) ?
U2 Cu2 13_565 3.0164(7) ?
U2 Cu2 1_545 3.0164(7) ?
U2 Cu1 13 3.3171(14) ?
U2 Cu1 15 3.3171(14) ?
U2 Cu1 3 3.3171(14) ?
U2 Cu1 14 3.3171(14) ?
U2 Cu1 2 3.3171(14) ?
U2 Cu1 . 3.3172(14) y
Sn Cu2 16_556 2.620(3) y
Sn Cu1 6_665 2.7990(10) y
Sn Cu1 5_565 2.7990(10) ?
Sn Cu1 4_565 2.7990(10) ?
Sn Cu1 6 2.7990(10) ?
Sn Cu1 4_665 2.7990(10) ?
Sn Cu1 5 2.7990(10) ?
Sn Cu2 4_665 2.9919(8) y
Sn Cu2 4_565 2.9919(8) ?
Sn Cu2 4_675 2.9919(8) ?
Sn U2 4 3.3523(7) ?
Sn U2 4_565 3.3523(7) ?
Cu1 Cu1 2 2.483(3) y
Cu1 Cu1 3 2.483(3) ?
Cu1 Cu1 2_665 2.503(3) y
Cu1 Cu1 3_565 2.503(3) ?
Cu1 Cu4 . 2.5324(14) y
Cu1 Cu3 . 2.5390(15) ?
Cu1 Cu2 . 2.540(2) y
Cu1 Sn 4_664 2.7990(10) ?
Cu1 Sn 4_564 2.7991(10) ?
Cu1 U1 13_666 3.2515(9) ?
Cu1 U1 13_566 3.2515(9) ?
Cu2 Cu1 3_565 2.540(2) y
Cu2 Cu1 2_665 2.540(2) ?
Cu2 Sn 16_556 2.620(3) ?
Cu2 Sn 4_664 2.9919(8) ?
Cu2 Sn 4_674 2.9919(8) ?
Cu2 Sn 4_564 2.9919(8) ?
Cu2 U2 1_565 3.0164(7) ?
Cu2 U2 1_665 3.0164(7) ?
Cu3 Cu1 18_566 2.5390(15) y
Cu3 Cu1 3_565 2.5390(15) ?
Cu3 Cu1 17_666 2.5390(15) ?
Cu3 Cu1 16_556 2.5390(15) ?
Cu3 Cu1 2_665 2.5390(15) ?
Cu3 U1 13_666 2.87836(17) ?
Cu3 Cu4 1_565 2.87838(17) y
Cu3 Cu4 1_665 2.87838(17) ?
Cu3 Cu4 . 2.87838(17) ?
Cu3 U1 13_566 2.87839(17) ?
Cu3 U1 13_676 2.87839(18) ?
Cu4 Cu1 16_556 2.5325(15) ?
Cu4 Cu1 2 2.5325(15) ?
Cu4 Cu1 18_556 2.5325(14) ?
Cu4 Cu1 3 2.5325(14) ?
Cu4 Cu1 17_556 2.5325(15) ?
Cu4 Cu3 1_445 2.87837(17) ?
Cu4 U1 13_666 2.87837(17) ?
Cu4 U1 13_556 2.87837(17) ?
Cu4 Cu3 1_545 2.87840(17) ?
Cu4 U1 13_566 2.87840(17) ?
