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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/77/1527788.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_1527788
loop_
_publ_author_name
'Meerschaut, A.'
'Spiesser, M.'
'Rouxel, J.'
'Gorochov, O.'
_publ_section_title
;
 Structure cristalline et proprietes physiques electriques et magnetiques
 des phases M0.5 Nb Se2 (M= Ti, V, Cr)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              31
_journal_page_last               40
_journal_volume                  31
_journal_year                    1980
_chemical_formula_sum            'Cr0.5 Nb Se2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.96
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.03
_cell_length_b                   3.481
_cell_length_c                   6.28
_cell_volume                     268.354
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Meerschaut_JSSCBI_1980_849.cif
_cod_data_source_block           Cr0.5Nb1Se2
_cod_original_cell_volume        268.3543
_cod_original_formula_sum        'Cr0.5 Nb1 Se2'
_cod_database_code               1527788
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Se2 Se 0.6353 0 0.296 1 0.0
Cr1 Cr 0 0 0 1 0.0
Se1 Se 0.899 0 0.244 1 0.0
Nb1 Nb 0.2575 0 0.195 1 0.0
