#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun 14 de Feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/87/1008783.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_1008783
loop_
_publ_author_name
'Brec, R'
'Ouvrard, G'
'Freour, R'
'Rouxel, J'
'Soubeyroux, J L'
_publ_section_title
;
Neutron and x-ray diffraction study of layered P0.2 V S2
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              689
_journal_page_last               696
_journal_paper_doi               10.1016/0025-5408(83)90095-8
_journal_volume                  18
_journal_year                    1983
_chemical_formula_structural     'P.17 V S2'
_chemical_formula_sum            'P0.17 S2 V'
_chemical_name_systematic        'Phosphorus vanadium sulfide (.2/1/2)'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.268(1)
_cell_length_b                   3.268(1)
_cell_length_c                   5.939(1)
_cell_volume                     54.9
_refine_ls_R_factor_all          0.086
_cod_original_formula_sum        'P.17 S2 V'
_cod_database_code               1008783
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_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 0.767(1) 1. 0 d
P1 P0 2 c 0. 0. 0.269(7) 0.085(5) 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
V0 0.000
S0 0.000
P0 0.000
