#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011150.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_1011150
_chemical_name_systematic          'Bismuth tellurium sulfide (2/2/1)'
_chemical_name_mineral             'Tetradymite'
_chemical_formula_structural       'Bi2 Te2 S'
_chemical_formula_sum              'Bi2 S Te2'
_publ_section_title
;
The crystal structure of the mineral tetradymite, Bi2 Te2 S
;
_publ_author_name                  'Harker, D'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    89
_journal_year                      1934
_journal_page_first                175
_journal_page_last                 181
_cell_length_a                     10.31
_cell_length_b                     10.31
_cell_length_c                     10.31
_cell_angle_alpha                  24.17
_cell_angle_beta                   24.17
_cell_angle_gamma                  24.17
_cell_volume                       161.5
_cell_formula_units_Z              1
_exptl_crystal_density_meas        7.5
_symmetry_space_group_name_H-M     'R -3 R'
_symmetry_Int_Tables_number        148
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  S0     0.000
  Bi0    0.000
  Te0    0.000
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
  S1    S0     1 a 0. 0. 0. 1.  0 d
  Bi1   Bi0    2 c 0.392 0.392 0.392 1.  0 d
  Te1   Te0    2 c 0.788 0.788 0.788 1.  0 d