#------------------------------------------------------------------------------
#$Date: 2015-10-13 17:34:45 +0200 (mar 13 de oct de 2015) $
#$Revision: 167274 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/86/1538612.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_1538612
loop_
_publ_author_name
'Kallel, A.'
'Boller, H.'
_publ_section_title
;
 A single-crystal structure refinement of V3 Se4
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              213
_journal_page_last               217
_journal_volume                  102
_journal_year                    1984
_chemical_formula_sum            'Se4 V3'
_chemical_name_systematic        'V3 Se4'
_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                 116.19
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.247
_cell_length_b                   3.463
_cell_length_c                   6.204
_cell_volume                     255.386
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kallel_JCOMAH_1984_1962.cif
_cod_data_source_block           Se4V3
_cod_original_cell_volume        255.3857
_cod_database_code               1538612
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 0.6386 0 0.9751 1 0.0
V1 V 0 0 0 1 0.0
V2 V 0.2558 0 0.307 1 0.0
Se1 Se 0.109 0 0.4503 1 0.0
