data_global _chemical_name_mineral 'Krennerite' loop_ _publ_author_name 'Pertlik F' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 33 _journal_year 1984 _journal_page_first 253 _journal_page_last 262 _publ_section_title ; Crystal chemistry of natural tellurides II: Redetermination of the crystal structure of krennerite, (Au1-xAgx)Te2 with x ~ 0.2 ; _database_code_amcsd 0015699 _chemical_compound_source 'Sacaramb, Romania' _chemical_formula_sum 'Au1.625 Ag.375 Te4' _cell_length_a 16.580 _cell_length_b 8.849 _cell_length_c 4.464 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 654.942 _exptl_crystal_density_diffrn 8.833 _symmetry_space_group_name_H-M 'P m a 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,z' '1/2-x,y,z' '-x,-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au1 0.00000 0.00000 0.10040 0.75000 Ag1 0.00000 0.00000 0.10040 0.25000 Au2 0.25000 0.32070 0.09070 0.50000 Ag2 0.25000 0.32070 0.09070 0.50000 Au3 0.12690 0.66480 0.58370 1.00000 Te1 0.25000 0.01690 0.05980 1.00000 Te2 0.25000 0.62070 -0.01820 1.00000 Te3 0.00770 0.69880 0.18860 1.00000 Te4 0.12670 0.36030 0.57160 1.00000 Te5 0.12060 0.96580 0.64130 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 Au1 0.00279 0.00635 0.01010 0.00372 0.00000 0.00000 Ag1 0.00279 0.00635 0.01010 0.00372 0.00000 0.00000 Au2 0.00418 0.00357 0.01020 0.00000 0.00000 0.00060 Ag2 0.00418 0.00357 0.01020 0.00000 0.00000 0.00060 Au3 0.00279 0.00397 0.01322 0.00000 -0.00262 -0.00100 Te1 0.00557 0.00595 0.01191 0.00000 0.00000 -0.00020 Te2 0.00279 0.00793 0.01100 0.00000 0.00000 -0.00140 Te3 0.00279 0.00912 0.01040 0.00074 0.00112 0.00200 Te4 0.00279 0.00992 0.01282 -0.00074 0.00112 0.00360 Te5 0.00418 0.00635 0.01413 0.00000 0.00262 0.00020