#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/83/1008302.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_1008302
_chemical_name_systematic
;
Copper chromium tin sulfide (1.10/1.30/0.70/3.90)
;
_chemical_formula_structural       'Cu1.10 Cr1.30 Sn0.70 S3.90'
_chemical_formula_sum            'Cr1.3 Cu1.1 S3.9 Sn0.7'
_[local]_cod_chemical_formula_sum_orig 'Cr1.3 Cu1.1 S3.9 Sn.7'
_publ_section_title
;
Crystal Structure of a Metal Excess Spinel: Cu~1.10~ Cr~1.30~ Sn~0.70~
S~3.90~
;
_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'
_[local]_cod_cif_authors_sg_H-M  'F d -3 m S'
loop_
_publ_author_name
  'Danot, M'
  'Colombet, P'
  'Tremblet, M'
  'Soubeyroux, J L'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    20
_journal_year                      1985
_journal_page_first                463
_journal_page_last                 468
_cell_length_a                     10.101(2)
_cell_length_b                     10.101(2)
_cell_length_c                     10.101(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1030.6
_cell_formula_units_Z              8
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,z,y'
  'y,x,z'
  'z,y,x'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  'x,-z,-y'
  'y,-x,-z'
  'z,-y,-x'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,z,-y'
  '-y,x,-z'
  '-z,y,-x'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '-x,-z,y'
  '-y,-x,z'
  '-z,-y,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-y,1/4-z,1/4-x'
  '1/4-z,1/4-x,1/4-y'
  '1/4-x,1/4-z,1/4-y'
  '1/4-y,1/4-x,1/4-z'
  '1/4-z,1/4-y,1/4-x'
  '1/4-x,1/4+y,1/4+z'
  '1/4-y,1/4+z,1/4+x'
  '1/4-z,1/4+x,1/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/4-y,1/4+x,1/4+z'
  '1/4-z,1/4+y,1/4+x'
  '1/4+x,1/4-y,1/4+z'
  '1/4+y,1/4-z,1/4+x'
  '1/4+z,1/4-x,1/4+y'
  '1/4+x,1/4-z,1/4+y'
  '1/4+y,1/4-x,1/4+z'
  '1/4+z,1/4-y,1/4+x'
  '1/4+x,1/4+y,1/4-z'
  '1/4+y,1/4+z,1/4-x'
  '1/4+z,1/4+x,1/4-y'
  '1/4+x,1/4+z,1/4-y'
  '1/4+y,1/4+x,1/4-z'
  '1/4+z,1/4+y,1/4-x'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  'x,1/2+z,1/2+y'
  '1/2+x,z,1/2+y'
  '1/2+x,1/2+z,y'
  'y,1/2+x,1/2+z'
  '1/2+y,x,1/2+z'
  '1/2+y,1/2+x,z'
  'z,1/2+y,1/2+x'
  '1/2+z,y,1/2+x'
  '1/2+z,1/2+y,x'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'x,1/2-z,1/2-y'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  'y,1/2-x,1/2-z'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  'z,1/2-y,1/2-x'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  '-x,1/2+z,1/2-y'
  '1/2-x,z,1/2-y'
  '1/2-x,1/2+z,-y'
  '-y,1/2+x,1/2-z'
  '1/2-y,x,1/2-z'
  '1/2-y,1/2+x,-z'
  '-z,1/2+y,1/2-x'
  '1/2-z,y,1/2-x'
  '1/2-z,1/2+y,-x'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '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'
  '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'
  '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'
  '1/4-x,3/4-z,3/4-y'
  '3/4-x,1/4-z,3/4-y'
  '3/4-x,3/4-z,1/4-y'
  '1/4-y,3/4-x,3/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4-y,3/4-x,1/4-z'
  '1/4-z,3/4-y,3/4-x'
  '3/4-z,1/4-y,3/4-x'
  '3/4-z,3/4-y,1/4-x'
  '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'
  '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'
  '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'
  '1/4-x,3/4+z,3/4+y'
  '3/4-x,1/4+z,3/4+y'
  '3/4-x,3/4+z,1/4+y'
  '1/4-y,3/4+x,3/4+z'
  '3/4-y,1/4+x,3/4+z'
  '3/4-y,3/4+x,1/4+z'
  '1/4-z,3/4+y,3/4+x'
  '3/4-z,1/4+y,3/4+x'
  '3/4-z,3/4+y,1/4+x'
  '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'
  '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'
  '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'
  '1/4+x,3/4-z,3/4+y'
  '3/4+x,1/4-z,3/4+y'
  '3/4+x,3/4-z,1/4+y'
  '1/4+y,3/4-x,3/4+z'
  '3/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '1/4+z,3/4-y,3/4+x'
  '3/4+z,1/4-y,3/4+x'
  '3/4+z,3/4-y,1/4+x'
  '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'
  '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'
  '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'
  '1/4+x,3/4+z,3/4-y'
  '3/4+x,1/4+z,3/4-y'
  '3/4+x,3/4+z,1/4-y'
  '1/4+y,3/4+x,3/4-z'
  '3/4+y,1/4+x,3/4-z'
  '3/4+y,3/4+x,1/4-z'
  '1/4+z,3/4+y,3/4-x'
  '3/4+z,1/4+y,3/4-x'
  '3/4+z,3/4+y,1/4-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cu2+   2.000
  Cr3+   3.000
  Sn2+   2.000
  S2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cu1   Cu2+   8 a 0. 0. 0. 0.95(2)  0 d
  Cu2   Cu2+  16 c 0.125 0.125 0.125 0.075  0 d
  Cr1   Cr3+  16 d 0.625 0.625 0.625 0.65  0 d
  Sn1   Sn2+  16 d 0.625 0.625 0.625 0.35  0 d
  S1    S2-   32 c 0.384(1) 0.384(1) 0.384(1) 0.975  0 d
_refine_ls_R_factor_all            0.036
_cod_database_code 1008302