#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/65/9006523.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_9006523
loop_
_publ_author_name
'Wittlinger, J.'
'Werner, S.'
'Schulz, H.'
_publ_section_title
;
 On the amorphisation of ZnCr2S4 spinel under high pressure:
 x-ray diffraction studies
 Sample: P = 4.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              597
_journal_page_last               600
_journal_paper_doi               10.1007/s002690050077
_journal_volume                  24
_journal_year                    1997
_chemical_formula_sum            'Cr2 S4 Zn'
_chemical_name_mineral           Kalininite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.8415
_cell_length_b                   9.8415
_cell_length_c                   9.8415
_cell_formula_units_Z            8
_cell_volume                     953.200
_database_code_amcsd             0008105
_diffrn_ambient_pressure         4.2e+06
_exptl_crystal_density_diffrn    4.148
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Cr2 S4'
_cod_database_code               9006523
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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1/4+z,-x,1/4+y
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1/4-y,1/2+z,3/4-x
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1/4+x,1/2-y,3/4+z
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y,1/2+z,1/2+x
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z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn 0.12500 0.12500 0.12500
Cr 0.50000 0.50000 0.50000
S 0.25930 0.25930 0.25930
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008105
