#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100210.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_2100210
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_publ_section_title
;
Extremely long period stacking structure in Sb-Te binary system
;
loop_
_publ_author_name
  'Kifune, Kouichi'
  'Kubota, Yoshiki'
  'Matsunaga, Toshiyuki'
  'Yamada, Noboru'
_chemical_formula_structural  'Sb16 Te3'
_chemical_formula_analytical  'Sb85 Te15'
_symmetry_cell_setting  trigonal
_symmetry_space_group_name_H-M  'R -3 m'
_symmetry_space_group_name_Hall  '-R 3 2"'
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'
_cell_length_a  4.28168(2)
_cell_length_b  4.28168(2)
_cell_length_c  108.7017(8)
_cell_angle_alpha  90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma  120.00000
_cell_volume  1725.82(2)
_cell_formula_units_Z  ?
_cell_measurement_temperature  90.0
_diffrn_ambient_temperature  90
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 0.666667 0.333333 0.01902(3) Biso 1.0 Sb
  Te2 0.333333 0.666667 0.03413(3) Biso 1.0 Te
  Sb2 0.000000 0.000000 0.05560(3) Biso 1.0 Sb
  Sb3 0.666667 0.333333 0.06931(3) Biso 1.0 Sb
  Sb4 0.333333 0.666667 0.08982(3) Biso 1.0 Sb
  Sb5 0.000000 0.000000 0.10426(3) Biso 1.0 Sb
  Sb6 0.666667 0.333333 0.12508(3) Biso 1.0 Sb
  Sb7 0.333333 0.666667 0.13886(3) Biso 1.0 Sb
  Sb8 0.000000 0.000000 0.15972(3) Biso 1.0 Sb