data_global
_chemical_name_mineral 'Tellurobismuthite'
loop_
_publ_author_name
'Feutelais Y'
'Legendre B'
'Rodier N'
'Agafonov V'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 28 
_journal_year 1993
_journal_page_first 591
_journal_page_last 596
_publ_section_title
;
 A study of the phases in the bismuth - tellurium system
;
_database_code_amcsd 0014367
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi2 Te3'
_cell_length_a 4.395
_cell_length_b 4.395
_cell_length_c 30.440
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 509.205
_exptl_crystal_density_diffrn      7.834
_symmetry_space_group_name_H-M 'R -3 m'
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'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,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
_atom_site_U_iso_or_equiv
Bi   0.00000   0.00000   0.40046   0.02330
Te1   0.00000   0.00000   0.00000   0.01748
Te2   0.00000   0.00000   0.79030   0.01912
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi 0.02260 0.02260 0.02441 0.01130 0.00000 0.00000
Te1 0.01916 0.01916 0.01408 0.00961 0.00000 0.00000
Te2 0.02092 0.02092 0.01549 0.01050 0.00000 0.00000