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