#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/11/1001151.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_1001151
loop_
_publ_author_name
'Bernigaud, G'
'Bernier, J C'
'Michel, A'
_publ_section_title
;
Evolution de l'ordre cristallographique dans les systemes Ta₂ V O₆ -
 V O₂ et W V₂ O₆ - V O₂
;
_journal_coden_ASTM              RIHTAV
_journal_name_full
;
Revue Internationale des Hautes Temperatures et des Refractaires
;
_journal_page_first              261
_journal_page_last               268
_journal_volume                  8
_journal_year                    1971
_chemical_formula_structural     'Ta2 V O6'
_chemical_formula_sum            'O6 Ta2 V'
_chemical_name_systematic        'Ditantalum vanadium(II) oxide'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.667
_cell_length_b                   4.667
_cell_length_c                   9.129
_cell_volume                     198.8
_refine_ls_R_factor_all          0.062
_cod_database_code               1001151
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
-x,-y,-z
x,y,-z
1/2-x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
y,x,z
-y,-x,z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
-y,-x,-z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ta1 Ta5+ 4 e 0. 0. 0.33 1. 0 d
V1 V2+ 2 a 0. 0. 0. 1. 0 d
O1 O2- 4 f 0.302 0.302 0. 1. 0 d
O2 O2- 8 j 0.302 0.302 0.33 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ta5+ 5.000
V2+ 2.000
O2- -2.000
