#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/88/1528845.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_1528845
loop_
_publ_author_name
'Sass, R.L.'
'Brackett, T.E.'
'Brackett, E.B.'
_publ_section_title
;
 The crystal structure of strontium bromide
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2862
_journal_page_last               2863
_journal_volume                  67
_journal_year                    1963
_chemical_formula_sum            'Br2 Sr'
_chemical_name_systematic        'Sr Br2'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   11.633
_cell_length_b                   11.633
_cell_length_c                   7.155
_cell_volume                     968.262
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Sass_JPCHAX_1963_397.cif
_cod_data_source_block           Br2Sr1
_cod_original_cell_volume        968.2626
_cod_original_formula_sum        'Br2 Sr1'
_cod_database_code               1528845
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-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
Br3 Br-1 0.25 0.75 0 1 0.0
Sr2 Sr+2 0.25 0.25 0.36 0.5 0.0
Br2 Br-1 0.345 0.46 0.115 1 0.0
Br1 Br-1 0.155 0.46 0.604 1 0.0
Sr3 Sr+2 0.25 0.25 0.86 0.5 0.0
Br4 Br-1 0.25 0.75 0.5 1 0.0
Sr1 Sr+2 0.088 0.588 0.245 1 0.0
