#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011120.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_1011120
_chemical_name_systematic          'Bismuth telluride'
_chemical_name_mineral             'Tellurobismuthite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Bi2 Te3'
_chemical_formula_sum              'Bi2 Te3'
_publ_section_title
;
Ein Vergleich zwischen Bi2 Te3 und Bi2 Te2 S
;
loop_
_publ_author_name                  'Lange, P W'
_journal_name_full                 'Naturwissenschaften'
_journal_coden_ASTM                NATWAY
_journal_volume                    27
_journal_year                      1939
_journal_page_first                133
_journal_page_last                 134
_cell_length_a                     10.45
_cell_length_b                     10.45
_cell_length_c                     10.45
_cell_angle_alpha                  24.13
_cell_angle_beta                   24.13
_cell_angle_gamma                  24.13
_cell_volume                       167.6
_cell_formula_units_Z              1
_exptl_crystal_density_meas        7.82
_symmetry_space_group_name_H-M     'R -3 m R'
_symmetry_Int_Tables_number        166
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,z'
  'y,z,x'
  'x,z,y'
  'z,x,y'
  'z,y,x'
  '-x,-y,-z'
  '-y,-x,-z'
  '-y,-z,-x'
  '-x,-z,-y'
  '-z,-x,-y'
  '-z,-y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te2-  -2.000
  Bi3+   3.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Te1   Te2-   1 a 0. 0. 0. 1.  0 d
  Te2   Te2-   2 c 0.792 0.792 0.792 1.  0 d
  Bi1   Bi3+   2 c 0.399 0.399 0.399 1.  0 d