#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/80/1008035.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_1008035
loop_
_publ_author_name
'Levy, J H'
'Taylor, J C'
'Wilson, P W'
_publ_section_title
;
The structure of uranium tribromide by neutron diffraction profile
analysis
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              265
_journal_page_last               270
_journal_paper_doi               10.1016/0022-5088(75)90200-3
_journal_volume                  39
_journal_year                    1975
_chemical_formula_structural     'U Br3'
_chemical_formula_sum            'Br3 U'
_chemical_name_systematic        'Uranium(III) bromide'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.942(2)
_cell_length_b                   7.942(2)
_cell_length_c                   4.441(2)
_cell_volume                     242.6
_refine_ls_R_factor_all          0.1
_cod_database_code               1008035
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
-x,-y,-z
y,y-x,-z
x-y,x,-z
x,y,1/2-z
-y,x-y,1/2-z
y-x,-x,1/2-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 U3+ 2 d 0.6667 0.3333 0.25 1. 0 d
Br1 Br1- 6 h 0.2996(4) 0.3859(4) 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
U3+ 3.000
Br1- -1.000
