#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310403.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310403
loop_
_publ_author_name
'Hockings, E.F.'
'White, J.G.'
_publ_section_title
;
 The crystal structures of Tl Sb Te2 and Tl Bi Te2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              328
_journal_page_last               328
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Bi Te2 Tl'
_chemical_name_systematic        'Bi Tl Te2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                32.3
_cell_angle_beta                 32.3
_cell_angle_gamma                32.3
_cell_formula_units_Z            1
_cell_length_a                   8.137
_cell_length_b                   8.137
_cell_length_c                   8.137
_cell_volume                     136.744
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Hockings_ACCRA9_1961_1443.cif
_cod_data_source_block           Bi1Te2Tl1
_cod_original_cell_volume        136.7442
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Bi1 Te2 Tl1'
_cod_database_code               2310403
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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
Bi1 Bi+3 0.5 0.5 0.5 1 0.0
Te1 Te-2 0.25 0.25 0.25 1 0.0
Tl1 Tl+1 0 0 0 1 0.0
