#------------------------------------------------------------------------------
#$Date: 2018-06-10 14:40:54 +0200 (dom 10 de jun de 2018) $
#$Revision: 208255 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538548.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_1538548
loop_
_publ_author_name
'Sandor, E.'
'Johnson, M.W.'
_publ_section_title
;
 Crystal structure and the lower phase transition in solid deuterium
 bromide
;
_journal_name_full               'Nature (London)'
_journal_page_first              541
_journal_page_last               543
_journal_volume                  217
_journal_year                    1968
_chemical_formula_sum            'Br D'
_chemical_name_systematic        'D Br'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           36
_space_group_name_Hall           'B -2 -2b'
_space_group_name_H-M_alt        'B b 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.44
_cell_length_b                   5.614
_cell_length_c                   6.12
_cell_volume                     186.906
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Sandor_NATUAS_1968_1641.cif
_cod_data_source_block           D1Br1
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-11
;
_cod_original_cell_volume        186.9058
_cod_original_formula_sum        'D1 Br1'
_cod_database_code               1538548
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z
3 x,y,-z
4 -x,y+1/2,z
5 x+1/2,y,z+1/2
6 -x+1/2,y+1/2,-z+1/2
7 x+1/2,y,-z+1/2
8 -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
D1 D+1 0.075 0.179 0 1 0.0
Br1 Br-1 0.25 0 0 1 0.0
