#------------------------------------------------------------------------------
#$Date: 2014-07-11 15:35:18 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/82/1008256.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_1008256
_chemical_name_systematic          'URANIUM(V) PENTABROMIDE'
_chemical_formula_structural       'U BR5'
_chemical_formula_sum              'Br5 U'
_publ_section_title
;
The crystal structure of uranium pentabromide by powder neutron
diffraction
;
loop_
_publ_author_name
  'Levy, J H'
  'Taylor, J C'
  'Wilson, P W'
_journal_name_full                 'Journal of Inorganic and Nuclear Chemistry'
_journal_coden_ASTM                JINCAO
_journal_volume                    40
_journal_year                      1978
_journal_page_first                1055
_journal_page_last                 1057
_cell_length_a                     7.449(7)
_cell_length_b                     10.127(14)
_cell_length_c                     6.686(4)
_cell_angle_alpha                  89.25(12)
_cell_angle_beta                   117.56(4)
_cell_angle_gamma                  108.87(9)
_cell_volume                       417.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U5+    5.000
  Br1-  -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  U1    U5+    2 i 0.224(6) 0.223(4) 0.099(8) 1.  0 d
  Br1   Br1-   2 i -0.197(6) 0.043(4) 0.052(7) 1.  0 d
  Br2   Br1-   2 i 0.391(8) 0.163(4) 0.531(8) 1.  0 d
  Br3   Br1-   2 i 0.002(6) 0.264(4) -0.316(6) 1.  0 d
  Br4   Br1-   2 i 0.595(8) 0.352(5) 0.121(7) 1.  0 d
  Br5   Br1-   2 i 0.189(8) 0.445(6) 0.280(6) 1.  0 d
_refine_ls_R_factor_all            0.136
_cod_database_code 1008256
_journal_paper_doi 10.1016/0022-1902(78)80507-7