#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/85/1528541.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_1528541
loop_
_publ_author_name
'Grzechnik, A.'
'Halasyamani, P.S.'
'Friese, K.'
'Chang Hongyoung'
_publ_section_title
;
 Twinned crystal structure and compressibility of Tl Te V O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1570
_journal_page_last               1574
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'O5 Te Tl V'
_chemical_name_systematic        'Tl Te V O5'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.313
_cell_length_b                   8.747
_cell_length_c                   7.887
_cell_volume                     504.506
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Grzechnik_JSSCBI_2009_1745.cif
_cod_data_source_block           O5Te1Tl1V1
_cod_original_cell_volume        504.5063
_cod_original_formula_sum        'O5 Te1 Tl1 V1'
_cod_database_code               1528541
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
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
O5 O-2 -0.255 0.077 0.851 1 0.0
Tl1 Tl+1 0.0227 0.1099 0.099 1 0.0
O3 O-2 -0.434 0.324 0.739 1 0.0
V1 V+5 -0.222 0.2599 0.7136 1 0.0
Te1 Te+4 -0.0256 0.4679 0.4014 1 0.0
O1 O-2 -0.225 0.182 0.521 1 0.0
O2 O-2 0.128 0.635 0.45 1 0.0
O4 O-2 -0.102 0.45 0.638 1 0.0
