#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/54/1535442.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_1535442
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            'Br1.6 I0.4 Sr'
_chemical_name_systematic        'Sr Br1.60 I.40'
_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                   11.828
_cell_length_b                   11.828
_cell_length_c                   7.251
_cell_volume                     1014.426
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Hodorowicz_JSSCBI_1983_146.cif
_cod_data_source_block           Br1.6I0.4Sr1
_cod_original_formula_sum        'Br1.6 I0.4 Sr1'
_cod_database_code               1535442
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
Br4 Br-1 0.25 0.75 0.5 1 0.0
I1 I-1 0.1531 0.459 0.6253 0.25 0.0
Sr1 Sr+2 0.1045 0.5856 0.2476 1 0.0
I2 I-1 0.3388 0.4572 0.0963 0.25 0.0
Br3 Br-1 0.25 0.75 0 1 0.0
Br1 Br-1 0.1531 0.459 0.6253 0.75 0.0
Sr2 Sr+2 0.25 0.25 0.7483 1 0.0
Br2 Br-1 0.3388 0.4572 0.0963 0.75 0.0
