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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310798.cif $
#------------------------------------------------------------------------------
#
# 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_2310798
loop_
_publ_author_name
'Christofferson, G.D.'
'McCullough, J.D.'
_publ_section_title
;
 The crystal structure of antimony(III) sulfobromide, Sb S Br
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              14
_journal_page_last               16
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Br S Sb'
_chemical_name_systematic        'Sb S Br'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.26
_cell_length_b                   9.79
_cell_length_c                   3.97
_cell_volume                     321.036
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Christofferson_ACCRA9_1959_1355.cif
_cod_data_source_block           Br1S1Sb1
_cod_original_cell_volume        321.0356
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Br1 S1 Sb1'
_cod_database_code               2310798
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
Sb1 Sb+3 0.1205 0.1326 0.25 1 0.0
Br1 Br-1 0.5133 0.8227 0.25 1 0.0
S1 S-2 0.8376 0.0456 0.25 1 0.0
