data_global
_chemical_name_mineral 'Tetradymite'
loop_
_publ_author_name
'Pauling L'
_journal_name_full 'American Mineralogist'
_journal_volume 60
_journal_year 1975
_journal_page_first 994
_journal_page_last 997
_publ_section_title
;
 The formula, structure, and chemical bonding of tetradymite, Bi14Te13S8, and the
 Phase Bi14Te15S6
 cell parameters were computed from those provided in the rhombohedral setting
;
_database_code_amcsd 474
_chemical_formula_sum 'Te13 S8 Bi14'
_cell_length_a 10.7
_cell_length_b 10.7
_cell_length_c 28.17
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 2793.091
_exptl_crystal_density_diffrn  8.634
_symmetry_space_group_name_H-M 'R -3 '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te1   0.0  0.0  0.0
Te2   0.22  0.044  0.1115
Te3   0.407  0.504  0.1169
S1   0.333333  0.666667  -0.1007
S2   0.441  0.301  0.002
Bi1   0.333333  0.666667  0.052
Bi2   0.215  0.268  0.0557
Bi3   0.464  0.097  0.0527