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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/43/1534386.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_1534386
loop_
_publ_author_name
'Danot, M.'
'Rouxel, J.'
_publ_section_title
;
 Preparation et reseau cristallin de l'oxybromure Cr O Br
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              1879
_journal_page_last               1881
_journal_volume                  262
_journal_year                    1966
_chemical_formula_sum            'Br Cr O'
_chemical_name_systematic        'Cr O Br'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.863
_cell_length_b                   3.232
_cell_length_c                   8.36
_cell_volume                     104.376
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Danot_CHDCAQ_1966_1657.cif
_cod_data_source_block           Br1Cr1O1
_cod_original_cell_volume        104.3764
_cod_original_formula_sum        'Br1 Cr1 O1'
_cod_database_code               1534386
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
x,-y-1/2,z
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
Cr1 Cr+3 0.25 0.25 0.102 1 0.0
O1 O-2 0.25 0.75 0.965 1 0.0
Br1 Br-1 0.25 0.75 0.32 1 0.0
