#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008782.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_1008782
_chemical_name_systematic          'Phosphorus vanadium sulfide (.2/1/2)'
_chemical_formula_structural       'P.2 V S2'
_chemical_formula_sum            'P0.2 S2 V'
_[local]_cod_chemical_formula_sum_orig 'P.2 S2 V'
_publ_section_title
;
Neutron and x-ray diffraction study of layered P0.2 V S2
;
loop_
_publ_author_name
  'Brec, R'
  'Ouvrard, G'
  'Freour, R'
  'Rouxel, J'
  'Soubeyroux, J L'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    18
_journal_year                      1983
_journal_page_first                689
_journal_page_last                 696
_cell_length_a                     3.270(1)
_cell_length_b                     3.270(1)
_cell_length_c                     5.956(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       55.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  V0     0.000
  S0     0.000
  P0     0.000
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
  V1    V0     1 a 0. 0. 0. 1.  0 d
  S1    S0     2 d 0.3333 0.6667 0.7501(1) 1.  0 d
  P1    P0     2 c 0. 0. 0.2754(5) 0.1  0 d
_refine_ls_R_factor_all            0.03
_cod_database_code 1008782