data_global _chemical_name_mineral 'Dantopaite' loop_ _publ_author_name 'Makovicky E' 'Paar W H' 'Putz H' 'Zagler G' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 467 _journal_page_last 481 _publ_section_title ; Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous series, from Erzwies, Austria ; _database_code_amcsd 0006280 _chemical_compound_source 'Erzwies, Austria' _chemical_formula_sum 'Bi7.64 Ag1.05 Cu.56 S11' _cell_length_a 13.380 _cell_length_b 4.0492 _cell_length_c 18.690 _cell_angle_alpha 90 _cell_angle_beta 105.494 _cell_angle_gamma 90 _cell_volume 975.793 _exptl_crystal_density_diffrn 7.141 _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 _atom_site_U_iso_or_equiv Bi1 0.85430 0.00000 0.35128 1.00000 0.01850 Bi2 0.61510 0.00000 0.44890 0.82000 0.02300 Ag2 0.61600 0.00000 0.46400 0.18000 0.02300 Bi3 0.09500 0.00000 0.25368 1.00000 0.01800 Bi4 0.30660 0.00000 0.10002 1.00000 0.02430 Ag1 0.00000 0.00000 0.00000 0.69000 0.04200 Cu1 0.00000 0.16000 0.00000 0.08000 0.00800 Cu2 0.49600 0.00000 0.07100 0.20000 0.11500 S1 0.66060 0.00000 0.03220 1.00000 0.01300 S2 0.24690 0.00000 0.40880 1.00000 0.02000 S3 0.71630 0.00000 0.21870 1.00000 0.01400 S4 0.00000 0.00000 0.50000 1.00000 0.03000 S5 0.47770 0.00000 0.31080 1.00000 0.02300 S6 0.95910 0.00000 0.12300 1.00000 0.01600 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 Bi1 0.01600 0.01720 0.02190 0.00000 0.00440 0.00000 Bi2 0.02700 0.02400 0.02000 0.00000 0.00900 0.00000 Ag2 0.02700 0.02400 0.02000 0.00000 0.00900 0.00000 Bi3 0.01870 0.01870 0.01500 0.00000 0.00090 0.00000 Bi4 0.03180 0.02530 0.01810 0.00000 0.01050 0.00000 Ag1 0.04900 0.05000 0.04000 0.00000 0.03300 0.00000 S1 0.01400 0.01500 0.01100 0.00000 0.00600 0.00000 S2 0.02000 0.02100 0.02100 0.00000 0.01100 0.00000 S3 0.01700 0.01100 0.01600 0.00000 0.01000 0.00000 S4 0.03700 0.02200 0.03300 0.00000 0.01600 0.00000 S5 0.01900 0.01400 0.04400 0.00000 0.02000 0.00000 S6 0.01300 0.01700 0.01000 0.00000 -0.00900 0.00000