data_global _chemical_name_mineral 'Cupromakopavonite' loop_ _publ_author_name 'Topa D' 'Makovicky E' 'Ilinca G' 'Dittrich H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 295 _journal_page_last 312 _publ_section_title ; Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal structure and the cupropavonite homologous series ; _database_code_amcsd 0019215 _chemical_compound_source 'the scheelite deposit Felbertal, Salzburg Province, Austria' _chemical_formula_sum 'Cu4 Ag1.621 Pb2 Bi9.379 S19' _cell_length_a 13.3801 _cell_length_b 4.0007 _cell_length_c 31.083 _cell_angle_alpha 90 _cell_angle_beta 93.064 _cell_angle_gamma 90 _cell_volume 1661.487 _exptl_crystal_density_diffrn 6.822 _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 Cu1 0.05660 0.00000 0.22570 1.00000 0.02950 Cu2 0.48850 0.00000 0.71340 1.00000 0.02940 Ag 0.00000 0.00000 0.00000 0.93700 0.03400 Pb 0.28681 0.00000 0.33522 1.00000 0.02990 Bi 0.00000 0.00000 0.00000 0.06300 0.03400 Bi1 0.27808 0.00000 0.05767 1.00000 0.01380 Bi2 0.44173 0.00000 0.88385 1.00000 0.01330 Bi3 0.18026 0.00000 0.78873 1.00000 0.01810 Bi4 0.42586 0.00000 0.58778 0.80300 0.02070 Ag4 0.42586 0.00000 0.58778 0.19700 0.02070 Bi5 0.14238 0.00000 0.53161 0.85500 0.02020 Ag5 0.14238 0.00000 0.53161 0.14500 0.02020 S1 0.35370 0.00000 0.97120 1.00000 0.01600 S2 0.07420 0.00000 0.92150 1.00000 0.02300 S3 0.19770 0.00000 0.13650 1.00000 0.01220 S4 0.49060 0.00000 0.19400 1.00000 0.01420 S5 0.21940 0.00000 0.24820 1.00000 0.01370 S6 0.07450 0.00000 0.71700 1.00000 0.01220 S7 0.35530 0.00000 0.66530 1.00000 0.01660 S8 0.06110 0.00000 0.60650 1.00000 0.01700 S9 0.22450 0.00000 0.44030 1.00000 0.02300 S10 0.50000 0.00000 0.50000 1.00000 0.02000 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 Cu1 0.02300 0.02900 0.03500 0.00000 -0.00900 0.00000 Cu2 0.03000 0.01600 0.04100 0.00000 -0.01000 0.00000 Ag 0.03000 0.04100 0.03100 0.00000 -0.00200 0.00000 Pb 0.03490 0.01790 0.03760 0.00000 0.00800 0.00000 Bi 0.03000 0.04100 0.03100 0.00000 -0.00200 0.00000 Bi1 0.01590 0.01180 0.01370 0.00000 0.00130 0.00000 Bi2 0.01580 0.01170 0.01260 0.00000 0.00220 0.00000 Bi3 0.01950 0.02100 0.01330 0.00000 -0.00310 0.00000 Bi4 0.02460 0.02040 0.01700 0.00000 0.00190 0.00000 Ag4 0.02460 0.02040 0.01700 0.00000 0.00190 0.00000 Bi5 0.02080 0.01790 0.02180 0.00000 -0.00030 0.00000 Ag5 0.02080 0.01790 0.02180 0.00000 -0.00030 0.00000 S1 0.01700 0.01700 0.01500 0.00000 0.00400 0.00000 S2 0.01900 0.01400 0.03400 0.00000 -0.00400 0.00000 S3 0.01500 0.01500 0.00700 0.00000 0.00000 0.00000 S4 0.01900 0.01500 0.01000 0.00000 0.00400 0.00000 S5 0.01200 0.01400 0.01500 0.00000 -0.00100 0.00000 S6 0.01400 0.01100 0.01200 0.00000 -0.00100 0.00000 S7 0.01700 0.01300 0.02000 0.00000 0.00200 0.00000 S8 0.01800 0.01600 0.01600 0.00000 -0.00100 0.00000 S9 0.01900 0.01500 0.03600 0.00000 -0.00400 0.00000 S10 0.02200 0.01900 0.02000 0.00000 0.00000 0.00000