data_global _chemical_name_mineral 'Calaverite' loop_ _publ_author_name 'Schutte W J' 'de Boer J L' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 44 _journal_year 1988 _journal_page_first 486 _journal_page_last 494 _publ_section_title ; Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2 Sample: T = 100 K ; _database_code_amcsd 0009827 _chemical_compound_source 'Cripple Creek, Colorado' _chemical_formula_sum '(Au.9 Ag.1) Te2' _cell_length_a 7.182 _cell_length_b 4.402 _cell_length_c 5.056 _cell_angle_alpha 90 _cell_angle_beta 89.99 _cell_angle_gamma 90 _cell_volume 159.846 _exptl_crystal_density_diffrn 9.209 _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 _atom_site_occupancy Au 0.00000 0.00000 0.00000 0.90000 Ag 0.00000 0.00000 0.00000 0.10000 Te 0.68900 0.00000 0.28880 1.00000 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 0.00366 0.00658 0.00479 0.00000 0.00092 0.00000 Ag 0.00366 0.00658 0.00479 0.00000 0.00092 0.00000 Te 0.00418 0.10504 0.00557 0.00000 0.00129 0.00000