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#$Date: 2015-10-10 02:13:25 +0100 (Sat, 10 Oct 2015) $
#$Revision: 164222 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104111.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_8104111
loop_
_publ_author_name
'Doert, T.'
'Boettcher, P.'
_publ_section_title
;
 Crystal structure of antimony nonathallium hexatelluride, SbTl9Te6
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              96
_journal_page_last               96
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'Sb1.07 Te6 Tl8.93'
_chemical_name_systematic        'Sb1.07 Tl8.93 Te6'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.828
_cell_length_b                   8.828
_cell_length_c                   13.001
_cell_volume                     1013.215
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Doert_ZEKRDZ_1994_1594.cif
_cod_data_source_block           Sb1.07Te6Tl8.93
_cod_database_code               8104111
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
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+1/2
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
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
Sb2 Sb+3 0 0 0.5 0.21 0.0
Te2 Te-2 0.15654 0.32949 0 1 0.0
Sb1 Sb+3 0 0 0 0.86 0.0
Tl3 Tl+1 0.35592 0.14881 0.15958 1 0.0
Tl2 Tl+1 0 0 0.5 0.79 0.0
Te1 Te-2 0 0 0.24311 1 0.0
Tl1 Tl+1 0 0 0 0.14 0.0