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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008163.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9008163
loop_
_publ_author_name
'Barnighausen, H.'
'Beck, H.'
'Grueninger, H. W.'
'Rietschel, E. T.'
'Schultz, N.'
_publ_section_title
;
 Neue AB2-strukturtypen mit siebenfach koordiniertem kation
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              430
_journal_page_last               430
_journal_volume                  128
_journal_year                    1969
_chemical_formula_structural     SrI2
_chemical_formula_sum            'I2 Sr'
_chemical_name_mineral           SrI2
_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_length_a                   15.22
_cell_length_b                   8.22
_cell_length_c                   7.90
_cell_volume                     988.356
_exptl_crystal_density_diffrn    4.589
_[local]_cod_chemical_formula_sum_orig 'Sr I2'
_cod_database_code               9008163
_amcsd_database_code             AMCSD#0010357
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,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr 0.11050 0.45050 0.27640
I1 0.20200 0.10770 0.16300
I2 -0.03410 0.26820 0.00540