#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310967.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_2310967
loop_
_publ_author_name
'Smith, G.S.'
'Johnson, Q.'
'Elson, R.E.'
_publ_section_title
;
 The Crystal Structure of Uranium Pentachloride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              300
_journal_page_last               303
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Cl10 U2'
_chemical_name_systematic        '(Cl4 U Cl2 U Cl4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.99
_cell_length_b                   10.69
_cell_length_c                   8.48
_cell_volume                     724.055
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Smith_ACCRA9_1967_1083.cif
_cod_data_source_block           Cl10U2
_cod_original_cell_volume        724.0548
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               2310967
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cl3 Cl-1 0.2443 0.1267 0.2409 1 0.0
Cl5 Cl-1 -0.0464 0.3657 0.1469 1 0.0
Cl2 Cl-1 -0.1388 0.1275 0.4384 1 0.0
Cl1 Cl-1 0.0389 0.1111 -0.1374 1 0.0
Cl4 Cl-1 -0.3414 0.1265 0.0693 1 0.0
U1 U+5 -0.0523 0.1378 0.1653 1 0.0
