data_global _chemical_name_mineral 'Paderaite' loop_ _publ_author_name 'Mumme W G' _journal_name_full 'The Canadian Mineralogist' _journal_volume 24 _journal_year 1986 _journal_page_first 513 _journal_page_last 521 _publ_section_title ; The crystal structure of paderaite, a mineral of the cuprobismutite series. ; _database_code_amcsd 0005211 _chemical_formula_sum 'Ag Pb Cu5.9 Bi12 S22' _cell_length_a 28.440 _cell_length_b 3.900 _cell_length_c 17.550 _cell_angle_alpha 90 _cell_angle_beta 106 _cell_angle_gamma 90 _cell_volume 1871.169 _exptl_crystal_density_diffrn 6.928 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-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 AgM1 0.00040 0.25000 0.41250 1.00000 0.02580 PbM2 0.18100 0.25000 0.34000 1.00000 0.00740 CuM3 0.30580 0.25000 0.36790 0.90000 0.04840 CuM4 0.49370 0.25000 0.34130 1.00000 0.00130 BiM5 0.61900 0.75000 0.27560 1.00000 0.00230 BiM6 0.77400 0.75000 0.29370 1.00000 0.01270 BiM7 0.91870 0.75000 0.28190 1.00000 0.01660 CuM8 0.06140 0.25000 0.30680 1.00000 0.00510 CuM9 0.24670 0.75000 0.21910 1.00000 0.00750 BiM10 0.38110 0.75000 0.22860 1.00000 0.00690 CuM11 0.51230 0.25000 0.16330 1.00000 0.00270 CuM12 0.69760 0.25000 0.12320 1.00000 0.00370 BiM13 0.82100 0.25000 0.11850 1.00000 0.00250 BiM14 0.00480 0.75000 0.10620 1.00000 0.00110 BiM15 0.13490 0.25000 0.09560 1.00000 0.01460 BiM16 0.28240 0.25000 0.05520 1.00000 0.00090 BiM17 0.56940 0.75000 0.01500 1.00000 0.00450 BiM18 0.42990 0.75000 0.48130 1.00000 0.00470 BiM19 0.72030 0.25000 0.46130 1.00000 0.00900 BiM20 0.87860 0.25000 0.47840 1.00000 0.00110 S1 0.65220 0.75000 0.42670 1.00000 0.03980 S2 0.79380 0.75000 0.47080 1.00000 0.02490 S3 0.94000 0.75000 0.48000 1.00000 0.01880 S4 0.09840 0.75000 0.36560 1.00000 0.00500 S5 0.26460 0.75000 0.38580 1.00000 0.00710 S6 0.38860 0.25000 0.39330 1.00000 0.00350 S7 0.49980 0.75000 0.40860 1.00000 0.01470 S8 0.56830 0.25000 0.29510 1.00000 0.00340 S9 0.70620 0.25000 0.28460 1.00000 0.00350 S10 0.83880 0.25000 0.28540 1.00000 0.06170 S11 0.97980 0.25000 0.27220 1.00000 0.02130 S12 0.16620 0.75000 0.20420 1.00000 0.00090 S13 0.29900 0.25000 0.19960 1.00000 0.00070 S14 0.44490 0.25000 0.22170 1.00000 0.01450 S15 0.60960 0.25000 0.10930 1.00000 0.00460 S16 0.73400 0.75000 0.13340 1.00000 0.00340 S17 0.87990 0.75000 0.12150 1.00000 0.03080 S18 0.06020 0.75000 0.00490 1.00000 0.00090 S19 0.20590 0.75000 0.03750 1.00000 0.02160 S20 0.35050 0.75000 0.07140 1.00000 0.00080 S21 0.50270 0.75000 0.08980 1.00000 0.00150 S22 0.07120 0.25000 0.18180 1.00000 0.00510