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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/63/2106379.cif $
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#
# 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_2106379
loop_
_publ_author_name
'Levet, J.C.'
'Potel, M.'
_publ_section_title
;
 Structure Cristalline de U O2 Br
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2542
_journal_page_last               2546
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Br O2 U'
_chemical_name_systematic        'U Br O2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.106
_cell_length_b                   20.2
_cell_length_c                   3.98
_cell_volume                     330.106
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Levet_ACBCAR_1977_590.cif
_cod_data_source_block           Br1O2U1
_cod_original_formula_sum        'Br1 O2 U1'
_cod_database_code               2106379
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,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
Br1 Br-1 0 0.18534 0.25 1 0.0
O1 O-2 0 0.03554 0.25 1 0.0
U1 U+5 0 -0.07818 0.25 1 0.0
O2 O-2 0 0.41922 0.25 1 0.0