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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/14/1521406.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_1521406
loop_
_publ_author_name
'Kirschbaum, K.'
'Martin, A.'
'Parrish, D.A.'
'Pinkerton, A.A.'
_publ_section_title
;
 Cooperative Jahn-Teller induced phase transition of Tb V O4:
 singlecrystal structure analyses of the tetragonal high
 temperaturephaseand the twinned orthorhombic phase below 33 K
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              4483
_journal_page_last               4490
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'O4 Tb V'
_chemical_name_systematic        'Tb (V O4)'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.239
_cell_length_b                   10.029
_cell_length_c                   6.3154
_cell_volume                     648.509
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Kirschbaum_JCOMEL_1999_95.cif
_cod_data_source_block           O4Tb1V1
_cod_original_cell_volume        648.5091
_cod_original_formula_sum        'O4 Tb1 V1'
_cod_database_code               1521406
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
-x,-y+1/2,-z+1/2
x-1/4,y+1/4,-z+1/2
-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
x+1/2,y,z+1/2
-x+3/4,-y+1/4,z+1/2
x+1/2,-y+1/4,-z+3/4
-x+3/4,y,-z+3/4
-x+1/2,-y,-z+1/2
x+1/4,y-1/4,-z+1/2
-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,z-1/4
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
Tb1 Tb+3 0.125 0.125 0.625 1 0.0
V1 V+5 0.125 0.125 0.125 1 0.0
O1 O-2 0.2162 0.0319 -0.0494 1 0.0
