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#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533590.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_1533590
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           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.141
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3039
_cell_length_b                   4.9875
_cell_length_c                   5.5646
_cell_volume                     201.136
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tenailleau_JSSCBI_2003_154.cif
_cod_data_source_block           Mo0.1O3V1.9
_cod_original_sg_symbol_Hall     '-C 2yc (x+z,y,-x)'
_cod_database_code               1533590
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
-x,-y,-z
x-1/2,-y,z
x+1/2,y+1/2,z+1/2
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x,-y+1/2,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
V1 V+3 0.3439 0.0063 0.3026 0.95 0.0
O2 O-2 0.25 0.318 0.5 1 0.0
Mo1 Mo+3 0.3439 0.0063 0.3026 0.05 0.0
O1 O-2 0.405 0.8477 0.6474 1 0.0
