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#$Date: 2015-10-05 12:51:20 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159850 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533593.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_1533593
loop_
_publ_author_name
'Tenailleau, C.'
'Suard, E.'
'Rodriguez-Carvajal, J.'
'Gibaud, A.'
'Lacorre, P.'
_publ_section_title
;
 Effect of doping and temperature on the crystal structure of (V1-x Mox)2
 O3 above and below the metal/insulator transition
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              431
_journal_page_last               440
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Mo0.1 O3 V1.9'
_chemical_name_systematic        '(V0.95 Mo0.05)2 O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9323
_cell_length_b                   4.9323
_cell_length_c                   14.1207
_cell_volume                     297.499
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tenailleau_JSSCBI_2003_155.cif
_cod_data_source_block           Mo0.1O3V1.9
_cod_original_cell_volume        297.4992
_cod_database_code               1533593
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
O1 O-2 0.3143 0 0.25 1 0.0
Mo1 Mo+3 0 0 0.3444 0.05 0.0
V1 V+3 0 0 0.3444 0.95 0.0
