data_global _amcsd_formula_title 'Ag8GeTe6' loop_ _publ_author_name 'Geller S' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 149 _journal_year 1979 _journal_page_first 31 _journal_page_last 47 _publ_section_title ; The crystal structure of gamma Ag8GeTe6, a potential mixed electronic- ionic conductor Note: model with Ag distributed only over tetrahedral sites, R = 9.7% ; _database_code_amcsd 0010802 _chemical_formula_sum 'Ag8.012 Ge Te6' _cell_length_a 11.58 _cell_length_b 11.58 _cell_length_c 11.58 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1552.836 _exptl_crystal_density_diffrn 7.282 _symmetry_space_group_name_H-M 'F -4 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '-z,x,-y' '-z,1/2+x,1/2-y' '1/2-z,x,1/2-y' '1/2-z,1/2+x,-y' '-y,z,-x' '-y,1/2+z,1/2-x' '1/2-y,z,1/2-x' '1/2-y,1/2+z,-x' '-x,y,-z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' 'x,-z,-y' 'x,1/2-z,1/2-y' '1/2+x,-z,1/2-y' '1/2+x,1/2-z,-y' 'z,-y,-x' 'z,1/2-y,1/2-x' '1/2+z,-y,1/2-x' '1/2+z,1/2-y,-x' 'y,-x,-z' 'y,1/2-x,1/2-z' '1/2+y,-x,1/2-z' '1/2+y,1/2-x,-z' 'x,z,y' 'x,1/2+z,1/2+y' '1/2+x,z,1/2+y' '1/2+x,1/2+z,y' 'z,y,x' 'z,1/2+y,1/2+x' '1/2+z,y,1/2+x' '1/2+z,1/2+y,x' 'y,x,z' 'y,1/2+x,1/2+z' '1/2+y,x,1/2+z' '1/2+y,1/2+x,z' '-z,-x,y' '-z,1/2-x,1/2+y' '1/2-z,-x,1/2+y' '1/2-z,1/2-x,y' '-y,-z,x' '-y,1/2-z,1/2+x' '1/2-y,-z,1/2+x' '1/2-y,1/2-z,x' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,1/2-y,z' 'z,-x,-y' 'z,1/2-x,1/2-y' '1/2+z,-x,1/2-y' '1/2+z,1/2-x,-y' 'y,-z,-x' 'y,1/2-z,1/2-x' '1/2+y,-z,1/2-x' '1/2+y,1/2-z,-x' 'x,-y,-z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,z,-y' '-x,1/2+z,1/2-y' '1/2-x,z,1/2-y' '1/2-x,1/2+z,-y' '-z,y,-x' '-z,1/2+y,1/2-x' '1/2-z,y,1/2-x' '1/2-z,1/2+y,-x' '-y,x,-z' '-y,1/2+x,1/2-z' '1/2-y,x,1/2-z' '1/2-y,1/2+x,-z' '-x,-z,y' '-x,1/2-z,1/2+y' '1/2-x,-z,1/2+y' '1/2-x,1/2-z,y' '-z,-y,x' '-z,1/2-y,1/2+x' '1/2-z,-y,1/2+x' '1/2-z,1/2-y,x' '-y,-x,z' '-y,1/2-x,1/2+z' '1/2-y,-x,1/2+z' '1/2-y,1/2-x,z' 'z,x,y' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' 'y,z,x' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+z,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag1 0.92000 0.92000 0.24300 0.45900 Ag2 0.28500 0.28500 0.03400 0.11200 Ag3 0.38300 0.38300 0.38300 0.17300 Ag5 0.50000 0.50000 0.50000 0.46800 Ge 0.75000 0.75000 0.75000 1.00000 Te1 0.62400 0.62400 0.62400 1.00000 Te2 0.00000 0.00000 0.00000 1.00000 Te3 0.25000 0.25000 0.25000 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 Ag1 0.09239 0.09239 0.14198 -0.00611 -0.04620 -0.04620 Ag2 0.07133 0.07133 0.02038 0.03736 -0.00611 -0.00611 Ag3 0.07744 0.07744 0.07744 -0.00136 -0.00136 -0.00136 Ag5 0.11753 0.11753 0.11753 0.00000 0.00000 0.00000 Ge 0.02242 0.02242 0.02242 0.00000 0.00000 0.00000 Te1 0.03193 0.03193 0.03193 -0.00476 -0.00476 -0.00476 Te2 0.08424 0.08424 0.08424 0.00000 0.00000 0.00000 Te3 0.07065 0.07065 0.07065 0.00000 0.00000 0.00000