#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/12/1011219.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_1011219
loop_
_publ_author_name
'Pauling, L'
'Hultgren, R'
_publ_section_title              'The crystal structure of sulvanite Cu3 V S4'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              204
_journal_page_last               212
_journal_volume                  84
_journal_year                    1932
_chemical_compound_source        'from Mercur, Utah'
_chemical_formula_structural     'Cu3 (V S4)'
_chemical_formula_sum            'Cu3 S4 V'
_chemical_name_mineral           Sulvanite
_chemical_name_systematic        'Copper(I) tetrathiovanadate'
_space_group_IT_number           215
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.370(5)
_cell_length_b                   5.370(5)
_cell_length_c                   5.370(5)
_cell_volume                     154.9
_exptl_crystal_density_meas      4.01(2)
_cod_database_code               1011219
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
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 V5+ 1 a 0. 0. 0. 1. 0 d
Cu1 Cu1+ 3 d 0.5 0. 0. 1. 0 d
S1 S2- 4 e 0.235(4) 0.235(4) 0.235(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
V5+ 5.000
Cu1+ 1.000
S2- -2.000
