#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$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
loop_
_publ_author_name
'Levy, J H'
'Taylor, J C'
'Wilson, P W'
_publ_section_title
;
The crystal structure of uranium pentabromide by powder neutron
diffraction
;
_journal_coden_ASTM              JINCAO
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1055
_journal_page_last               1057
_journal_paper_doi               10.1016/0022-1902(78)80507-7
_journal_volume                  40
_journal_year                    1978
_chemical_formula_structural     'U BR5'
_chemical_formula_sum            'Br5 U'
_chemical_name_systematic        'URANIUM(V) PENTABROMIDE'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.25(12)
_cell_angle_beta                 117.56(4)
_cell_angle_gamma                108.87(9)
_cell_formula_units_Z            2
_cell_length_a                   7.449(7)
_cell_length_b                   10.127(14)
_cell_length_c                   6.686(4)
_cell_volume                     417.5
_refine_ls_R_factor_all          0.136
_cod_database_code               1008256
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
loop_
_atom_type_symbol
_atom_type_oxidation_number
U5+ 5.000
Br1- -1.000
