data_global
_chemical_name_mineral 'Calaverite'
loop_
_publ_author_name
'Reithmayer K'
'Steurer W'
'Schulz H'
'de Boer J L'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 49 
_journal_year 1993
_journal_page_first 6
_journal_page_last 11
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 0.0001 GPa
;
_database_code_amcsd 0009860
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Au Te2'
_cell_length_a 7.189
_cell_length_b 4.407
_cell_length_c 5.069
_cell_angle_alpha 90
_cell_angle_beta 89.96
_cell_angle_gamma 90
_cell_volume 160.596
_exptl_crystal_density_diffrn      9.351
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Au   0.00000   0.00000   0.00000
Te   0.68840   0.00000   0.28780
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
Au 0.01520 0.02050 0.01390 0.00000 0.00200 0.00000
Te 0.01670 0.01030 0.01040 0.00000 0.00170 0.00000