data_global
_chemical_name_mineral 'Calaverite'
loop_
_publ_author_name
'Pertlik F'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 169 
_journal_year 1984
_journal_page_first 227
_journal_page_last 236
_publ_section_title
;
 Kristallchemie naturlicher telluride III: Die kristallstruktur des minerals calaverit, AuTe2
;
_database_code_amcsd 0010874
_chemical_compound_source 'Cripple Creek, Colorado, USA'
_chemical_formula_sum 'Au Te2'
_cell_length_a 8.76
_cell_length_b 4.410
_cell_length_c 10.15
_cell_angle_alpha 90
_cell_angle_beta 125.2
_cell_angle_gamma 90
_cell_volume 320.411
_exptl_crystal_density_diffrn      9.373
_symmetry_space_group_name_H-M 'P 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Au1   0.74830   0.49380   0.12430
Au2   0.24600  -0.00590   0.87310
Te1   0.93510  -0.01380   0.57280
Te22   0.55850   0.05200   0.67470
Te3   0.05750   0.44640   0.42090
Te4   0.43630   0.55850   0.32350
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
Au1 0.01324 0.02847 0.02161 -0.00240 0.00962 0.00130
Au2 0.01609 0.02847 0.02405 -0.00240 0.01053 0.00222
Te1 0.01480 0.09961 0.02579 0.00640 0.01384 -0.00611
Te22 0.01090 0.04246 0.02439 -0.00608 0.00962 -0.00926
Te3 0.01350 0.04414 0.01986 0.00416 0.00872 0.00667
Te4 0.01532 0.03202 0.02439 -0.00944 0.01113 -0.00852