#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$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_paper_doi               10.1524/zkri.1969.128.16.424
_journal_volume                  128
_journal_year                    1969
_chemical_formula_structural     SrI2
_chemical_formula_sum            'I2 Sr'
_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                   15.22
_cell_length_b                   8.22
_cell_length_c                   7.90
_cell_volume                     988.356
_database_code_amcsd             0010679
_exptl_crystal_density_diffrn    4.589
_cod_depositor_comments
;
 Adding the _journal_paper_doi data item.

 Antanas Vaitkus,
 2017-07-14

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-07-14
;
_cod_original_formula_sum        'Sr I2'
_cod_database_code               9008163
_amcsd_formula_title             SrI2
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010679