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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/99/9009940.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_9009940
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 = 10 K, low temperature form
;
_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           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.8645
_cell_length_b                   6.8645
_cell_length_c                   10.0257
_cell_formula_units_Z            4
_cell_volume                     472.425
_database_code_amcsd             0014172
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    8.102
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               9009940
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,1/2-x,1/4+z
1/2-y,-x,3/4+z
1/2+y,1/2+x,1/2-z
+y,+x,-z
1/2+y,1/2-x,1/2-z
+y,-x,-z
-y,1/2+x,1/4+z
1/2-y,+x,3/4+z
1/2+x,1/2-y,1/2+z
+x,-y,+z
1/2-x,y,3/4-z
-x,1/2+y,1/4-z
1/2+x,y,3/4-z
+x,1/2+y,1/4-z
1/2-x,1/2-y,1/2+z
-x,-y,+z
1/2+y,x,3/4+z
+y,1/2+x,1/4+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
1/2+y,-x,3/4+z
+y,1/2-x,1/4+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,1/2-y,1/4-z
1/2+x,-y,3/4-z
-x,1/2-y,1/4-z
1/2-x,-y,3/4-z
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 0.00380
Ir 0.00000 0.25000 0.62500 0.00507
S 0.00000 0.23800 0.39100 0.00380
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014172
