#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/99/9009941.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_9009941
loop_
_publ_author_name
'Furubayashi, T.'
'Matsumoto, T.'
'Hagino, T.'
'Nagata, S.'
_publ_section_title
;Structural and magnetic studies of metal-insulator transition in thiospinel
 CuIr2S4 Sample: T = 295 K
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              3333
_journal_page_last               3339
_journal_paper_doi               10.1143/JPSJ.63.3333
_journal_volume                  63
_journal_year                    1994
_chemical_formula_sum            'Cu Ir2 S4'
_chemical_name_mineral           Cuproiridsite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.8474
_cell_length_b                   9.8474
_cell_length_c                   9.8474
_cell_formula_units_Z            8
_cell_volume                     954.915
_database_code_amcsd             0014173
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    8.017
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9009941
loop_
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x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
3/4+z,3/4-x,1/4+y
3/4+z,1/4-x,3/4+y
1/4+z,3/4-x,3/4+y
1/4+z,1/4-x,1/4+y
-y,1/2+z,1/2-x
-y,+z,-x
1/2-y,1/2+z,-x
1/2-y,+z,1/2-x
3/4+x,3/4-y,1/4+z
3/4+x,1/4-y,3/4+z
1/4+x,3/4-y,3/4+z
1/4+x,1/4-y,1/4+z
-z,1/2+x,1/2-y
-z,+x,-y
1/2-z,1/2+x,-y
1/2-z,+x,1/2-y
3/4+y,3/4-z,1/4+x
3/4+y,1/4-z,3/4+x
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1/4+y,1/4-z,1/4+x
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1/2-x,1/2+y,-z
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3/4-z,3/4+y,1/4+x
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1/4-z,3/4+y,3/4+x
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1/4-x,3/4-z,3/4-y
1/4-x,1/4-z,1/4-y
3/4-x,3/4-z,1/4-y
3/4-x,1/4-z,3/4-y
z,1/2+y,1/2+x
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1/4-y,3/4-x,3/4-z
1/4-y,1/4-x,1/4-z
3/4-y,3/4-x,1/4-z
3/4-y,1/4-x,3/4-z
3/4+z,1/4+x,3/4-y
3/4+z,3/4+x,1/4-y
1/4+z,1/4+x,1/4-y
1/4+z,3/4+x,3/4-y
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1/2-y,1/2-z,+x
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3/4+x,1/4+y,3/4-z
3/4+x,3/4+y,1/4-z
1/4+x,1/4+y,1/4-z
1/4+x,3/4+y,3/4-z
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3/4+y,3/4+z,1/4-x
1/4+y,1/4+z,1/4-x
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1/4-x,3/4+y,3/4+z
1/4-x,1/4+y,1/4+z
3/4-x,3/4+y,1/4+z
3/4-x,1/4+y,3/4+z
z,-x,-y
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3/4+z,3/4-y,1/4+x
3/4+z,1/4-y,3/4+x
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3/4+x,3/4-z,1/4+y
3/4+x,1/4-z,3/4+y
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-z,+y,-x
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1/4+y,1/4-x,1/4+z
3/4+y,3/4-x,1/4+z
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1/2-x,1/2-z,y
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3/4+z,1/4+y,3/4-x
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1/2-y,1/2-x,z
3/4+x,3/4+z,1/4-y
3/4+x,1/4+z,3/4-y
1/4+x,3/4+z,3/4-y
1/4+x,1/4+z,1/4-y
-z,-y,x
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1/2-z,-y,1/2+x
1/2-z,1/2-y,x
3/4+y,3/4+x,1/4-z
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1/4+y,1/4+x,1/4-z
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1/4-z,3/4-x,3/4-y
3/4-z,1/4-x,3/4-y
3/4-z,3/4-x,1/4-y
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
1/4-x,1/4-y,1/4-z
1/4-x,3/4-y,3/4-z
3/4-x,1/4-y,3/4-z
3/4-x,3/4-y,1/4-z
z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
1/4-y,1/4-z,1/4-x
1/4-y,3/4-z,3/4-x
3/4-y,1/4-z,3/4-x
3/4-y,3/4-z,1/4-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.00000 0.00000 0.00000 0.01267
Ir 0.62500 0.62500 0.62500 0.00507
S 0.38500 0.38500 0.38500 0.00887
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014173
