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#$Date: 2017-08-02 15:04:43 +0200 (Wed, 02 Aug 2017) $
#$Revision: 199467 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/02/2100209.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_2100209
loop_
_publ_author_name
'Kifune, Kouichi'
'Kubota, Yoshiki'
'Matsunaga, Toshiyuki'
'Yamada, Noboru'
_publ_section_title
;
 Extremely long period stacking structure in the Sb-Te binary system
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              492
_journal_page_last               497
_journal_paper_doi               10.1107/S0108768105017714
_journal_volume                  61
_journal_year                    2005
_chemical_formula_analytical     'Sb72 Te28'
_chemical_formula_structural     'Sb8 Te3'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            ?
_cell_length_a                   4.27125(2)
_cell_length_b                   4.27125(2)
_cell_length_c                   63.8957(6)
_cell_measurement_temperature    90.0
_cell_volume                     1009.510(10)
_diffrn_ambient_temperature      90
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               2100209
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 y,x,-z
5 x-y,-y,-z
6 -x,-x+y,-z
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -y,-x,z
11 -x+y,y,z
12 x,x-y,z
13 2/3+x,1/3+y,1/3+z
14 2/3-y,1/3+x-y,1/3+z
15 2/3-x+y,1/3-x,1/3+z
16 2/3+y,1/3+x,1/3-z
17 2/3+x-y,1/3-y,1/3-z
18 2/3-x,1/3-x+y,1/3-z
19 2/3-x,1/3-y,1/3-z
20 2/3+y,1/3-x+y,1/3-z
21 2/3+x-y,1/3+x,1/3-z
22 2/3-y,1/3-x,1/3+z
23 2/3-x+y,1/3+y,1/3+z
24 2/3+x,1/3+x-y,1/3+z
25 1/3+x,2/3+y,2/3+z
26 1/3-y,2/3+x-y,2/3+z
27 1/3-x+y,2/3-x,2/3+z
28 1/3+y,2/3+x,2/3-z
29 1/3+x-y,2/3-y,2/3-z
30 1/3-x,2/3-x+y,2/3-z
31 1/3-x,2/3-y,2/3-z
32 1/3+y,2/3-x+y,2/3-z
33 1/3+x-y,2/3+x,2/3-z
34 1/3-y,2/3-x,2/3+z
35 1/3-x+y,2/3+y,2/3+z
36 1/3+x,2/3+x-y,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
Te1 0.000000 0.000000 0.000000 Biso 1.0 Te
Sb1 0.333333 0.666667 0.03290(4) Biso 1.0 Sb
Te2 0.666667 0.333333 0.05840(3) Biso 1.0 Te
Sb2 0.000000 0.000000 0.09430(4) Biso 1.0 Sb
Sb3 0.333333 0.666667 0.11846(4) Biso 1.0 Sb
Sb4 0.666667 0.333333 0.15457(4) Biso 1.0 Sb