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#$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104110.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_8104110
loop_
_publ_author_name
'Doert, T.'
'Boettcher, P.'
_publ_section_title
;
 Crystal structure of bismuthnonathallium hexatelluride, Bi Tl9 Te6
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              95
_journal_page_last               95
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'Bi Te6 Tl9'
_chemical_name_systematic        'Bi Tl9 Te6'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.855
_cell_length_b                   8.855
_cell_length_c                   13.048
_cell_volume                     1023.107
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Doert_ZEKRDZ_1994_1593.cif
_cod_data_source_block           Bi1Te6Tl9
_cod_original_formula_sum        'Bi1 Te6 Tl9'
_cod_database_code               8104110
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Tl2 Tl+1 0.1466 0.6466 0.1592 1 0.0
Bi1 Bi+3 0 0 0 0.5 0.0
Te2 Te-2 0.33751 0.83751 0 1 0.0
Tl1 Tl+1 0 0 0 0.5 0.0
Te1 Te-2 0 0 0.25 1 0.0