#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/83/1008374.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_1008374
_chemical_name_systematic          'Barium vanadium(IV) sulfide'
_chemical_formula_structural       'Ba V S3'
_chemical_formula_sum              'Ba S3 V'
_publ_section_title
;
Powder neutron diffraction studies of the low-temperature phase
transitions in stoichiometric Ba V S~3~
;
loop_
_publ_author_name
  'Ghedira, M'
  'Anne, M'
  'Chenavas, J'
  'Marezio, M'
  'Sayetat, F'
_journal_name_full                 'Journal of Physics C'
_journal_coden_ASTM                JPSOAW
_journal_volume                    19
_journal_year                      1986
_journal_page_first                6489
_journal_page_last                 6503
_cell_length_a                     6.7572(1)
_cell_length_b                     11.4866(2)
_cell_length_c                     5.5994(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       434.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c m'
_symmetry_Int_Tables_number        63
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  'x,y,1/2-z'
  'x,-y,1/2+z'
  '-x,-y,-z'
  '-x,y,z'
  '-x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-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,-z'
  '1/2-x,1/2+y,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
  Ba2+   2.000
  V4+    4.000
  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
  Ba1   Ba2+   4 c 0. 0.3364(2) 0.25 1.  0 d
  V1    V4+    4 a 0. 0. 0. 1.  0 d
  S1    S2-    4 c 0. 0.8303(4) 0.25 1.  0 d
  S2    S2-    8 g 0.2436(4) 0.0835(3) 0.25 1.  0 d
_refine_ls_R_factor_all            0.052
_cod_database_code 1008374