#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/19/1521988.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_1521988
loop_
_publ_author_name
'Stoewe, K.'
_publ_section_title
;
 The phase transition of Tl Te: crystal structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              123
_journal_page_last               132
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum            'Te Tl'
_chemical_name_systematic        'Tl Te'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   18.229
_cell_length_b                   18.229
_cell_length_c                   6.157
_cell_volume                     2045.949
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Stoewe_JSSCBI_2000_1722.cif
_cod_data_source_block           Te1Tl1
_cod_original_formula_sum        'Te1 Tl1'
_cod_database_code               1521988
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z+1/2
-x+1/2,-y+1/2,z
y,-x+1/2,z+1/2
x+1/2,-y,-z
y+1/2,x+1/2,-z+1/2
-x,y+1/2,-z
-y,-x,-z+1/2
-x,-y,-z
y-1/2,-x,-z-1/2
x-1/2,y-1/2,-z
-y,x-1/2,-z-1/2
-x-1/2,y,z
-y-1/2,-x-1/2,z-1/2
x,-y-1/2,z
y,x,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
Tl2 Tl+1 0.15462 0.07454 0.5055 1 0.0
Te1 Te-1 0.25 0.4145 0.0046 1 0.0
Tl1 Tl+1 0.075 0.84593 0.5077 1 0.0
Te4 Te-1 0.75 0.25 0.0193 1 0.0
Te3 Te-1 0.25 0.25 0.0032 1 0.0
Te5 Te-1 0.49673 0.50327 0.25 1 0.0
Te2 Te-1 0.25 0.9145 0.4767 1 0.0
