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#$Date: 2015-10-13 16:23:23 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167139 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107137.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107137
loop_
_publ_author_name
'Rigoult, J.'
'Guidi-Morosini, C.'
'Tomas, A.'
'Molinie, P.'
_publ_section_title
;
 An Accurate Refinement of 1T-V Se2 at Room Temperature
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1557
_journal_page_last               1559
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Se2 V1.005'
_chemical_name_systematic        'V1.005 Se2'
_space_group_IT_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                   3.356
_cell_length_b                   3.356
_cell_length_c                   6.104
_cell_volume                     59.537
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Rigoult_ACBCAR_1982_1709.cif
_cod_data_source_block           Se2V1.005
_cod_original_cell_volume        59.53729
_cod_database_code               2107137
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
V2 V+3 0 0 0.5 0.005 0.0
Se1 Se-2 0.33333 0.66667 0.25664 1 0.0
V1 V+3 0 0 0 1 0.0
