data_global _chemical_name_mineral 'Putzite' loop_ _publ_author_name 'Paar W H' 'Roberts A C' 'Berlepsch P' 'Armbruster T' 'Topa D' 'Zagler G' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 1757 _journal_page_last 1769 _publ_section_title ; Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas, Catamarca, Argentina: Description and crystal structure ; _database_code_amcsd 0005995 _chemical_compound_source 'Capillitas, Catamarca, Argentina' _chemical_formula_sum 'Ge Cu4.68 Ag3.48 S6' _cell_length_a 10.1250 _cell_length_b 10.1250 _cell_length_c 10.1250 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1037.971 _exptl_crystal_density_diffrn 6.001 _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 _atom_site_U_iso_or_equiv Ge1 0.00000 0.50000 0.00000 1.00000 0.01270 Cu1 0.25000 0.75000 0.98040 0.50000 0.05900 Ag1 0.32790 0.47130 0.17210 0.25000 0.07200 Cu2 0.35500 0.56400 0.14500 0.14000 0.11800 Ag2 0.35500 0.56400 0.14500 0.04000 0.11800 S1 0.12500 0.62500 0.12500 1.00000 0.02080 S2 0.25000 0.75000 0.75000 1.00000 0.05100 S3 0.52060 0.52060 0.02060 0.25000 0.02300 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 Ge1 0.01270 0.01270 0.01270 0.00000 0.00000 0.00000 Cu1 0.07200 0.07200 0.03400 -0.03900 0.00000 0.00000 Ag1 0.06400 0.08600 0.06400 -0.00500 -0.02100 0.00500 S1 0.02080 0.02080 0.02080 -0.00640 -0.00640 -0.00640 S2 0.05100 0.05100 0.05100 0.00000 0.00000 0.00000 S3 0.02300 0.02300 0.02300 -0.00600 -0.00600 -0.00600