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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009940.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009940
_chemical_name 'Cuproiridsite'
loop_
_publ_author_name
'Furubayashi T'
'Matsumoto T'
'Hagino T'
'Nagata S'
_journal_name_full "Journal of the Physical Society of Japan"
_journal_volume 63
_journal_year 1994
_journal_page_first 3333
_journal_page_last 3339
_publ_section_title
;
 Structural and magnetic studies of metal-insulator transition in thiospinel CuI
 Sample: T = 10 K, low temperature form
;
_chemical_formula_sum 'Cu Ir2 S4'
_cell_length_a 6.8645
_cell_length_b 6.8645
_cell_length_c 10.0257
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 472.425
_symmetry_space_group_name_H-M 'I 41/a m d'
loop_
_symmetry_equiv_pos_as_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_Uiso_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