data_global _chemical_name_mineral 'Pizgrischite' loop_ _publ_author_name 'Meisser N' 'Schenk K' 'Berlepsch P' 'Brugger J' 'Bonin M' 'Criddle A J' 'Thelin P' 'Bussy F' _journal_name_full 'The Canadian Mineralogist' _journal_volume 45 _journal_year 2007 _journal_page_first 1229 _journal_page_last 1245 _publ_section_title ; Pizgrischite, (Cu,Fe)Cu14PbBi17S35, a new sulfosalt from the Swiss Alps: Description, crystal structure and occurrence ; _database_code_amcsd 0006155 _chemical_compound_source 'Piz Grisch Mountain, Val Ferrera, Graubunden, Switzerland' _chemical_formula_sum 'Pb Bi17 Cu14.77 Fe.23 S35' _cell_length_a 35.095 _cell_length_b 3.9067 _cell_length_c 43.222 _cell_angle_alpha 90 _cell_angle_beta 96.71 _cell_angle_gamma 90 _cell_volume 5885.388 _exptl_crystal_density_diffrn 6.584 _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 Pb1 0.87808 0.50000 0.28981 1.00000 0.03740 Bi1 0.83272 0.50000 0.43024 1.00000 0.01870 Bi2 0.43533 0.50000 0.43755 1.00000 0.02060 Bi3 0.48725 0.50000 0.29006 1.00000 0.02020 Bi4 0.22486 0.50000 0.41883 1.00000 0.01990 Bi5 0.54122 0.50000 0.39190 1.00000 0.01920 Bi6 0.77605 0.50000 0.33146 1.00000 0.02560 Bi7 0.07211 0.50000 0.10866 1.00000 0.02020 Bi8 0.11792 0.50000 0.46427 1.00000 0.02200 Bi9 0.29783 0.50000 0.15429 1.00000 0.01940 Bi10 0.35170 0.50000 0.06782 1.00000 0.01980 Bi11 0.62900 0.50000 0.03831 1.00000 0.02000 Bi12 0.09069 0.50000 0.29255 1.00000 0.02310 Bi13 0.71726 0.00000 0.25356 1.00000 0.02510 Bi14 0.95322 0.50000 0.06212 1.00000 0.02100 Bi15 0.40889 0.50000 0.20603 1.00000 0.01950 Bi16 0.11495 0.50000 0.20713 1.00000 0.02190 Bi17 0.74597 0.50000 0.07344 1.00000 0.02490 Cu1 0.81357 0.50000 0.23153 1.00000 0.02860 Cu2 0.53261 0.50000 0.03173 1.00000 0.03150 Cu3 0.63631 0.50000 0.38674 1.00000 0.03410 Cu4 0.28162 0.50000 0.49869 1.00000 0.03260 Cu5 0.70395 0.50000 0.18146 1.00000 0.02710 Cu6 0.94277 0.50000 0.35623 1.00000 0.03980 Cu7 0.16616 0.50000 0.12222 1.00000 0.02760 Cu8 0.02411 0.50000 0.46870 1.00000 0.03140 Cu9A 0.68110 0.50000 0.32360 0.43000 0.02900 Cu9B 0.67240 0.50000 0.30710 0.57000 0.02700 Cu10 0.48048 0.50000 0.14103 1.00000 0.05100 Cu11 0.91850 0.50000 0.13739 1.00000 0.05500 Cu12 0.00502 0.50000 0.22807 1.00000 0.03870 Cu13 0.37489 0.50000 0.36494 1.00000 0.04090 Cu14 0.52719 0.50000 0.19096 1.00000 0.05400 Cu15 0.78546 0.50000 0.00309 0.77000 0.03950 Fe15 0.78546 0.50000 0.00309 0.23000 0.03950 S1 0.67320 0.00000 0.17639 1.00000 0.01600 S2 0.32970 0.50000 0.53890 1.00000 0.01900 S3 0.28790 0.50000 0.39290 1.00000 0.01800 S4 0.10870 0.50000 0.40303 1.00000 0.01400 S5 0.55160 0.50000 0.45275 1.00000 0.01500 S6 0.76870 0.50000 0.18690 1.00000 0.01800 S7 0.98990 0.50000 0.39650 1.00000 0.01900 S8 0.65590 0.50000 0.25090 1.00000 0.01800 S9 0.58270 0.50000 0.16938 1.00000 0.01500 S10 0.03030 0.50000 0.32290 1.00000 0.01800 S11 0.54040 0.50000 0.24530 1.00000 0.02000 S12 0.87340 0.50000 0.17144 1.00000 0.01300 S13 0.71130 0.00000 0.31240 1.00000 0.01300 S14 0.68270 0.00000 0.03947 1.00000 0.01400 S15 0.32800 0.50000 0.32400 1.00000 0.01700 S16 0.88180 0.50000 0.03350 1.00000 0.01800 S17 0.61670 0.50000 0.33010 1.00000 0.01900 S18 0.51850 0.50000 0.10135 1.00000 0.01600 S19 0.42920 0.50000 0.32849 1.00000 0.01600 S20 0.77230 0.50000 0.47050 1.00000 0.02200 S21 0.46610 0.50000 0.02390 1.00000 0.01700 S22 0.98420 0.50000 0.17420 1.00000 0.02100 S23 0.70080 0.50000 0.38050 1.00000 0.01700 S24 0.81500 0.50000 0.10498 1.00000 0.01600 S25 0.28150 0.50000 0.03200 1.00000 0.01600 S26 0.63730 0.50000 0.09910 1.00000 0.01900 S27 0.77150 0.50000 0.26870 1.00000 0.01700 S28 0.95930 0.50000 0.47570 1.00000 0.01800 S29 0.35160 0.50000 0.23875 1.00000 0.01600 S30 0.88750 0.50000 0.39250 1.00000 0.01600 S31 0.06620 0.50000 0.04750 1.00000 0.02100 S32 0.42090 0.50000 0.10950 1.00000 0.02400 S33 0.94400 0.50000 0.25240 1.00000 0.02100 S34 0.37280 0.50000 0.46547 1.00000 0.01600 S35 0.23210 0.50000 0.11510 1.00000 0.01900 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 Pb1 0.02620 0.04930 0.03500 0.00000 -0.00400 0.00000 Bi1 0.01070 0.01490 0.02920 0.00000 -0.00290 0.00000 Bi2 0.01120 0.01900 0.02990 0.00000 -0.00420 0.00000 Bi3 0.01430 0.01420 0.03010 0.00000 -0.00570 0.00000 Bi4 0.01210 0.01720 0.02910 0.00000 -0.00270 0.00000 Bi5 0.01160 0.01720 0.02730 0.00000 -0.00430 0.00000 Bi6 0.01410 0.02800 0.03260 0.00000 -0.00580 0.00000 Bi7 0.01420 0.01910 0.02550 0.00000 -0.00510 0.00000 Bi8 0.01480 0.02070 0.02880 0.00000 -0.00460 0.00000 Bi9 0.01270 0.01460 0.02910 0.00000 -0.00560 0.00000 Bi10 0.01490 0.01440 0.02940 0.00000 -0.00090 0.00000 Bi11 0.01130 0.01880 0.02810 0.00000 -0.00490 0.00000 Bi12 0.01710 0.01970 0.03070 0.00000 -0.00540 0.00000 Bi13 0.02460 0.02010 0.02830 0.00000 -0.00710 0.00000 Bi14 0.01250 0.02060 0.02870 0.00000 -0.00240 0.00000 Bi15 0.01360 0.01530 0.02760 0.00000 -0.00640 0.00000 Bi16 0.01210 0.02180 0.03040 0.00000 -0.00310 0.00000 Bi17 0.01150 0.03070 0.03050 0.00000 -0.00590 0.00000 Cu1 0.01700 0.02800 0.03900 0.00000 -0.00400 0.00000 Cu2 0.01700 0.02600 0.04800 0.00000 -0.01100 0.00000 Cu3 0.02200 0.02400 0.05700 0.00000 0.00700 0.00000 Cu4 0.02800 0.02500 0.04100 0.00000 -0.01200 0.00000 Cu5 0.01400 0.01900 0.04800 0.00000 0.00200 0.00000 Cu6 0.03800 0.02600 0.04900 0.00000 -0.02200 0.00000 Cu7 0.01600 0.03000 0.03500 0.00000 -0.00500 0.00000 Cu8 0.02600 0.02600 0.04300 0.00000 0.00700 0.00000 Cu10 0.03000 0.07500 0.04600 0.00000 -0.00200 0.00000 Cu11 0.09000 0.02100 0.06400 0.00000 0.04500 0.00000 Cu12 0.04100 0.02900 0.04200 0.00000 -0.01300 0.00000 Cu13 0.05100 0.02300 0.04100 0.00000 -0.02700 0.00000 Cu14 0.02800 0.08800 0.04600 0.00000 0.00100 0.00000 Cu15 0.06200 0.02500 0.03300 0.00000 0.01200 0.00000 Fe15 0.06200 0.02500 0.03300 0.00000 0.01200 0.00000