#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008079.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_1008079
_chemical_name_systematic          'Dichromium nickel tetrasulfide'
_chemical_formula_structural       'Cr2 Ni S4'
_chemical_formula_sum              'Cr2 Ni S4'
_publ_section_title
;
Etude par Diffraction neutronique de Cr~2~ Ni S~4~
;
loop_
_publ_author_name
  'Andron, B'
  'Bertaut, E F'
_journal_name_full                 'Journal de Physique (Paris)'
_journal_coden_ASTM                JOPQAG
_journal_volume                    27
_journal_year                      1966
_journal_page_first                619
_journal_page_last                 626
_cell_length_a                     5.94
_cell_length_b                     3.42
_cell_length_c                     11.14
_cell_angle_alpha                  90
_cell_angle_beta                   91.05
_cell_angle_gamma                  90
_cell_volume                       226.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '-x,-y,-z'
  'x,-y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni2+   2.000
  Cr3+   3.000
  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
  Ni1   Ni2+   2 c 0. 0. 0.5 1.  0 d
  Cr1   Cr3+   4 i 0.0093 0. 0.242 1.  0 d
  S1    S2-    4 i 0.348 0. 0.87 1.  0 d
  S2    S2-    4 i 0.323 0. 0.381 1.  0 d
_refine_ls_R_factor_all            0.08