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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/55/1525527.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_1525527
loop_
_publ_author_name
'le Nagard, N.'
'Collin, G.'
'Gorochov, O.'
_publ_section_title
;
 Structure cristalline et proprietes physiques de Cu0.65 V S2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              155
_journal_page_last               162
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'Cu0.65 S2 V'
_chemical_name_systematic        'Cu0.65 V S2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                107.2
_cell_formula_units_Z            4
_cell_length_a                   11.61
_cell_length_b                   6.514
_cell_length_c                   3.327
_cell_volume                     240.360
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            leNagard_MRBUAC_1979_366.cif
_cod_data_source_block           Cu0.65S2V1
_cod_original_cell_volume        240.3603
_cod_original_sg_symbol_Hall     '-P 2yb (z,x,y)'
_cod_original_formula_sum        'Cu0.65 S2 V1'
_cod_database_code               1525527
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x,-y,-z
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu2 Cu+2 0.9391 0.4354 0.25 0.312 0.0
S1 S-2 0.9992 0.7609 0.25 1 0.0
S2 S-2 0.2448 0.2091 0.25 1 0.0
Cu3 Cu+2 0.801 0.56 0.25 0.052 0.0
Cu4 Cu+2 0.446 0.44 0.25 0.046 0.0
S3 S-2 0.7448 0.2173 0.25 1 0.0
S4 S-2 0.5054 0.7557 0.25 1 0.0
Cu1 Cu+2 0.2984 0.5617 0.25 0.888 0.0
V1 V+2 0.3922 0.0027 0.25 1 0.0
V2 V+2 0.8874 0.0023 0.25 1 0.0
