#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/54/1535462.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_1535462
loop_
_publ_author_name
'Hodorowicz, S.A.'
'Eick, H.A.'
_publ_section_title
;
 An X-ray diffraction study of the Sr Brx I2-x system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              313
_journal_page_last               320
_journal_volume                  46
_journal_year                    1983
_chemical_formula_sum            'Br0.2 I1.8 Sr'
_chemical_name_systematic        'Sr (Br0.2 I1.8)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.189
_cell_length_b                   8.174
_cell_length_c                   7.84
_cell_volume                     973.374
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Hodorowicz_JSSCBI_1983_152.cif
_cod_data_source_block           Br0.2I1.8Sr1
_cod_original_cell_volume        973.3743
_cod_original_formula_sum        'Br0.2 I1.8 Sr1'
_cod_database_code               1535462
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
I1 I-1 0.202 0.1077 0.163 0.9 0.0
Sr1 Sr+2 0.1105 0.4505 0.2764 1 0.0
I2 I-1 -0.0341 0.2682 0.0054 0.9 0.0
Br2 Br-1 -0.0341 0.2682 0.0054 0.1 0.0
Br1 Br-1 0.202 0.1077 0.163 0.1 0.0
