data_global _chemical_name_mineral 'Parasterryite' loop_ _publ_author_name 'Moelo Y' 'Guillot-Deudon C' 'Evain M' 'Orlandi P' 'Biagioni C' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 68 _journal_year 2012 _journal_page_first 480 _journal_page_last 492 _publ_section_title ; Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)3Pb19-(Sb,As)22(As-As)S56, and parasterryite, Ag4Pb20(Sb,As)24S58 ; _database_code_amcsd 0019483 _chemical_compound_source 'Pollone mine, Tuscany, Italy' _chemical_formula_sum 'Pb20.21 Ag4 As10.23 Sb13.56 S58' _cell_length_a 8.3965 _cell_length_b 27.954 _cell_length_c 43.884 _cell_angle_alpha 90 _cell_angle_beta 90.061 _cell_angle_gamma 90 _cell_volume 10300.260 _exptl_crystal_density_diffrn 5.737 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Pb1 0.36763 0.36216 0.18873 1.00000 0.02230 Pb2 0.87463 0.36391 0.18918 1.00000 0.02420 Pb3 0.36370 0.29977 0.09552 1.00000 0.02390 Pb4 0.86185 0.29243 0.10178 1.00000 0.02430 Pb5 0.35693 0.45226 0.10872 1.00000 0.02500 Pb6 0.85479 0.45238 0.10944 1.00000 0.02560 Ag7 0.33620 0.58389 0.10610 1.00000 0.05550 Pb8 0.81865 0.59875 0.11581 1.00000 0.03230 As9 0.62260 0.49315 0.18644 1.00000 0.01590 Sb10 0.13120 0.49109 0.19319 1.00000 0.02100 Sb11 0.37250 0.90657 0.23240 0.12000 0.01730 As11 0.37250 0.90657 0.23240 0.88000 0.01730 Sb12 0.86650 0.91492 0.23679 0.87000 0.02030 As12 0.86650 0.91492 0.23679 0.13000 0.02030 Pb13 0.61281 0.78747 0.22624 1.00000 0.02930 Pb14 0.13196 0.78428 0.22712 1.00000 0.02500 Sb15 0.59370 0.22519 0.16976 0.91000 0.01910 As15 0.59370 0.22519 0.16976 0.09000 0.01910 As16 0.12310 0.23186 0.17065 1.00000 0.01630 Sb17 0.61990 0.16758 0.09448 0.43000 0.02100 As17 0.61990 0.16758 0.09448 0.57000 0.02100 Sb18 0.11390 0.15868 0.08751 1.00000 0.02150 Sb19 0.61610 0.07517 0.00797 0.80000 0.01680 As19 0.61610 0.07517 0.00797 0.20000 0.01680 Pb20 0.11460 0.08099 0.01537 0.46000 0.03190 Sb20 0.11460 0.08099 0.01537 0.54000 0.03190 Pb21 0.38579 0.00515 0.06394 1.00000 0.02220 Sb22 0.87720 0.00802 0.07129 0.78000 0.01770 As22 0.87720 0.00802 0.07129 0.22000 0.01770 Sb23 0.37000 0.07949 0.15271 0.82000 0.01860 As23 0.37000 0.07949 0.15271 0.18000 0.01860 Pb24 0.88296 0.08179 0.14700 1.00000 0.02300 Ag25 0.35230 0.16014 0.23146 1.00000 0.03510 Sb26 0.86960 0.16689 0.22674 0.70000 0.02080 As26 0.86960 0.16689 0.22674 0.30000 0.02080 Pb27 0.39721 0.61845 0.19934 1.00000 0.02760 Sb28 0.89470 0.61462 0.20042 0.60000 0.02100 As28 0.89470 0.61462 0.20042 0.40000 0.02100 Sb29 0.61180 0.03729 0.22421 1.00000 0.02110 Pb30 0.11604 0.02959 0.22269 1.00000 0.02510 Pb31 0.62627 0.94878 0.14183 1.00000 0.02330 Pb32 0.11873 0.95038 0.14272 1.00000 0.02270 Pb33a 0.62472 0.86693 0.06450 1.00000 0.02480 Pb34a 0.14489 0.87105 0.06308 1.00000 0.02330 Pb35 0.35797 0.21290 0.01550 1.00000 0.02730 Pb36 0.86164 0.21330 0.01791 1.00000 0.02370 As37 0.59870 0.38671 0.03818 0.95000 0.01620 Sb37 0.59870 0.38671 0.03818 0.05000 0.01620 Sb38 0.13800 0.39220 0.03406 0.90000 0.02070 As38 0.13800 0.39220 0.03406 0.10000 0.02070 Sb39 0.63180 0.52810 0.03770 0.57000 0.02200 As39 0.63180 0.52810 0.03770 0.43000 0.02200 Sb40 0.09890 0.52584 0.04232 0.87000 0.02010 As40 0.09890 0.52584 0.04232 0.13000 0.02010 Sb41 0.57840 0.66010 0.04420 1.00000 0.02150 As42 0.15220 0.66143 0.02030 1.00000 0.01730 As43 0.95030 0.75165 0.06151 1.00000 0.01760 Pb44a 0.63870 0.74091 0.12709 0.75000 0.02280 Sb44b 0.65000 0.74660 0.12050 0.25000 0.03400 Ag45 0.26540 0.70516 0.09631 1.00000 0.05430 Ag46 0.08350 0.71966 0.15450 1.00000 0.05590 Sb47 0.33030 0.83235 0.14525 0.35000 0.02600 As47 0.33030 0.83235 0.14525 0.65000 0.02600 As48 0.88460 0.84764 0.16134 1.00000 0.01690 S1 0.61280 0.30470 0.14902 1.00000 0.01850 S2 0.11780 0.30320 0.14703 1.00000 0.01780 S3 0.60840 0.37770 0.08942 1.00000 0.01560 S4 0.12120 0.37573 0.08806 1.00000 0.01590 S5 0.61670 0.42290 0.15998 1.00000 0.01740 S6 0.12320 0.42371 0.15807 1.00000 0.01720 S7 0.62680 0.34120 0.23469 1.00000 0.01740 S8 0.13140 0.33820 0.23789 1.00000 0.01770 S9 0.61180 0.23581 0.06312 1.00000 0.01720 S10 0.11190 0.23920 0.06355 1.00000 0.01700 S11 0.61020 0.51960 0.09193 1.00000 0.01640 S12 0.10650 0.53020 0.09812 1.00000 0.01760 S13 0.41240 0.53100 0.16301 1.00000 0.02030 S14 0.83500 0.52460 0.16117 1.00000 0.01840 S15 0.33970 0.45080 0.22736 1.00000 0.01790 S16 0.91950 0.44920 0.22794 1.00000 0.01640 S17 0.58010 0.87920 0.20257 1.00000 0.02010 S18 0.16130 0.88270 0.20223 1.00000 0.01790 S19 0.33910 0.24420 0.20238 1.00000 0.01880 S20 0.92110 0.24970 0.20391 1.00000 0.01980 S21 0.41170 0.19260 0.12933 1.00000 0.02010 S22 0.82980 0.19550 0.12646 1.00000 0.02040 S23 0.33540 0.12990 0.05158 1.00000 0.01840 S24 0.89620 0.12670 0.05336 1.00000 0.01740 S25 0.60670 0.95430 0.02238 1.00000 0.02100 S26 0.16010 0.95220 0.02319 1.00000 0.02040 S27 0.65560 0.03380 0.10331 1.00000 0.02300 S28 0.10240 0.03560 0.10293 1.00000 0.02070 S29 0.59700 0.10570 0.18492 1.00000 0.02040 S30 0.15810 0.11150 0.18398 1.00000 0.02170 S31 0.34920 0.69900 0.24609 1.00000 0.02420 S32 0.92180 0.68600 0.23571 1.00000 0.02080 S33 0.68600 0.65260 0.17319 1.00000 0.02900 S34 0.09390 0.63030 0.16317 1.00000 0.03000 S35 0.59880 0.57460 0.24488 1.00000 0.02670 S36 0.16250 0.57190 0.24762 1.00000 0.02040 S37 0.63580 0.49850 0.32563 1.00000 0.01900 S38 0.11400 0.49810 0.32276 1.00000 0.01990 S39 0.37960 0.92580 0.09634 1.00000 0.01710 S40 0.88290 0.92790 0.09136 1.00000 0.02000 S41 0.38840 0.84400 0.01412 1.00000 0.01900 S42 0.88900 0.84341 0.01686 1.00000 0.01620 S43 0.39750 0.33380 0.02800 1.00000 0.01760 S44 0.81370 0.33370 0.03128 1.00000 0.02020 S45 0.32300 0.46040 0.03968 1.00000 0.02020 S46 0.90690 0.46160 0.03874 1.00000 0.01900 S47 0.41120 0.58960 0.03314 1.00000 0.02310 S48 0.82460 0.59000 0.04252 1.00000 0.02160 S49 0.32970 0.71740 0.03390 1.00000 0.01880 S50 0.93100 0.71040 0.01616 1.00000 0.01800 S51 0.68740 0.76230 0.06275 1.00000 0.01980 S52 0.37580 0.79290 0.09786 1.00000 0.02180 S53 0.67490 0.84200 0.13026 1.00000 0.01860 S54 1.05930 0.82270 0.12564 1.00000 0.02360 S55 0.35500 0.76310 0.17457 1.00000 0.02550 S56 0.86730 0.77550 0.18359 1.00000 0.01870 S57 0.51260 0.65300 0.10049 1.00000 0.02190 S58 0.97280 0.69380 0.09658 1.00000 0.03000 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 0.02380 0.02370 0.01940 0.00130 0.00210 0.00040 Pb2 0.02750 0.02480 0.02030 -0.00050 0.00440 0.00060 Pb3 0.02450 0.02130 0.02610 -0.00040 0.00360 -0.00480 Pb4 0.02830 0.02110 0.02330 0.00120 0.00030 -0.00240 Pb5 0.02610 0.02250 0.02650 -0.00140 0.00370 0.00300 Pb6 0.02730 0.02050 0.02880 0.00050 0.00210 0.00330 Ag7 0.04490 0.04210 0.08000 -0.03170 0.00880 -0.00740 Pb8 0.03380 0.02280 0.04030 -0.00280 -0.00140 0.00960 As9 0.01540 0.01510 0.01710 0.00100 0.00300 -0.00060 Sb10 0.02900 0.01580 0.01810 0.00080 0.00150 -0.00190 Sb11 0.01230 0.02380 0.01570 0.00110 0.00120 -0.00010 As11 0.01230 0.02380 0.01570 0.00110 0.00120 -0.00010 Sb12 0.02540 0.01530 0.02030 -0.00070 0.00230 0.00290 As12 0.02540 0.01530 0.02030 -0.00070 0.00230 0.00290 Pb13 0.03020 0.02640 0.03120 0.00030 0.01050 0.00280 Pb14 0.02560 0.02660 0.02300 -0.00070 -0.00270 0.00000 Sb15 0.02470 0.01460 0.01820 -0.00040 -0.00030 0.00070 As15 0.02470 0.01460 0.01820 -0.00040 -0.00030 0.00070 As16 0.01720 0.01440 0.01750 -0.00060 0.00170 0.00070 Sb17 0.01800 0.02390 0.02120 0.00010 0.00390 0.00370 As17 0.01800 0.02390 0.02120 0.00010 0.00390 0.00370 Sb18 0.01610 0.01610 0.03230 -0.00100 0.00080 0.00020 Sb19 0.01660 0.01760 0.01600 -0.00210 0.00170 0.00120 As19 0.01660 0.01760 0.01600 -0.00210 0.00170 0.00120 Pb20 0.02490 0.04530 0.02560 0.00330 0.00360 0.01100 Sb20 0.02490 0.04530 0.02560 0.00330 0.00360 0.01100 Pb21 0.02380 0.01800 0.02480 0.00050 0.00160 0.00210 Sb22 0.01710 0.01750 0.01870 -0.00120 0.00370 0.00180 As22 0.01710 0.01750 0.01870 -0.00120 0.00370 0.00180 Sb23 0.01660 0.01840 0.02090 -0.00140 0.00300 -0.00260 As23 0.01660 0.01840 0.02090 -0.00140 0.00300 -0.00260 Pb24 0.02490 0.01830 0.02580 0.00140 0.00230 0.00050 Ag25 0.04970 0.02090 0.03470 0.00000 0.00200 0.00790 Sb26 0.02290 0.02370 0.01560 0.00230 0.00470 0.00110 As26 0.02290 0.02370 0.01560 0.00230 0.00470 0.00110 Pb27 0.02620 0.03080 0.02580 0.00140 0.00090 0.00210 Sb28 0.01880 0.02700 0.01740 -0.00150 0.00040 0.00350 As28 0.01880 0.02700 0.01740 -0.00150 0.00040 0.00350 Sb29 0.02010 0.02340 0.01990 -0.00230 0.00010 -0.00100 Pb30 0.02680 0.02380 0.02470 -0.00290 0.00180 0.00270 Pb31 0.02120 0.02150 0.02710 0.00240 0.00020 -0.00210 Pb32 0.02100 0.01910 0.02790 -0.00070 0.00180 -0.00300 Pb33a 0.02290 0.02670 0.02480 0.00240 -0.00040 -0.00590 Pb34a 0.02310 0.02410 0.02270 -0.00450 0.00400 -0.00210 Pb35 0.02740 0.02540 0.02910 0.00280 0.00290 -0.00130 Pb36 0.02320 0.02610 0.02180 -0.00390 0.00220 0.00020 As37 0.01450 0.01820 0.01590 -0.00060 0.00340 -0.00200 Sb37 0.01450 0.01820 0.01590 -0.00060 0.00340 -0.00200 Sb38 0.02530 0.01930 0.01750 -0.00570 0.00130 0.00000 As38 0.02530 0.01930 0.01750 -0.00570 0.00130 0.00000 Sb39 0.01790 0.02290 0.02510 -0.00220 0.00200 0.00770 As39 0.01790 0.02290 0.02510 -0.00220 0.00200 0.00770 Sb40 0.02000 0.02010 0.02020 -0.00370 0.00250 0.00090 As40 0.02000 0.02010 0.02020 -0.00370 0.00250 0.00090 Sb41 0.02030 0.01620 0.02810 -0.00260 -0.00150 0.00120 As42 0.01440 0.01730 0.02030 0.00000 0.00250 -0.00060 As43 0.02010 0.01340 0.01940 -0.00150 0.00390 0.00190 Pb44a 0.02590 0.01970 0.02270 -0.00430 0.00440 0.00000 Sb44b 0.04600 0.04000 0.01600 -0.03200 0.03000 -0.01200 Ag45 0.02860 0.07400 0.06030 0.00930 -0.00500 -0.00830 Ag46 0.08100 0.02870 0.05760 -0.00630 0.01410 -0.00710 Sb47 0.02230 0.02460 0.03100 0.00850 0.01000 0.00950 As47 0.02230 0.02460 0.03100 0.00850 0.01000 0.00950 As48 0.01580 0.01430 0.02050 -0.00070 0.00200 -0.00430 S1 0.02300 0.00900 0.02300 0.00100 0.00200 -0.00150 S2 0.02300 0.01500 0.01600 -0.00300 0.00100 0.00140 S3 0.01800 0.01700 0.01100 -0.00200 0.00300 -0.00330 S4 0.01800 0.01600 0.01400 0.00200 0.00600 0.00420 S5 0.01600 0.01600 0.02000 0.00100 0.00100 -0.00140 S6 0.02200 0.01400 0.01500 -0.00600 0.00400 0.00130 S7 0.01800 0.02000 0.01500 -0.00300 0.00300 -0.00380 S8 0.01900 0.01800 0.01600 0.00000 0.00400 0.00160 S9 0.01700 0.01400 0.02000 0.00000 0.00200 0.00000 S10 0.01300 0.01500 0.02300 -0.00100 0.00300 -0.00200 S11 0.01500 0.01800 0.01600 -0.00400 0.00200 0.00490 S12 0.01400 0.02100 0.01700 0.00000 0.00200 0.00100 S13 0.01700 0.02500 0.02000 -0.00100 0.00100 0.00300 S14 0.02000 0.01300 0.02200 -0.00500 -0.00200 -0.00100 S15 0.02100 0.01700 0.01600 0.00100 0.00300 0.00300 S16 0.01500 0.01800 0.01600 0.00000 0.00200 -0.00400 S17 0.02000 0.02700 0.01400 0.00300 0.00500 0.00300 S18 0.01800 0.01900 0.01600 0.00000 0.00100 0.00300 S19 0.01500 0.02700 0.01500 0.00200 -0.00100 -0.00100 S20 0.02100 0.02100 0.01800 0.00000 0.00000 0.00400 S21 0.02000 0.01900 0.02100 -0.00300 0.00100 -0.00200 S22 0.02700 0.01300 0.02200 0.00000 0.00000 0.00000 S23 0.01300 0.01700 0.02500 -0.00400 0.00200 0.00100 S24 0.01400 0.01400 0.02300 -0.00500 -0.00200 0.00000 S25 0.01700 0.01600 0.03000 0.00000 -0.00500 0.00900 S26 0.02100 0.02000 0.02000 0.00100 0.00300 0.00200 S27 0.02200 0.01900 0.02800 0.00300 0.00600 0.00200 S28 0.02600 0.01600 0.02000 -0.00300 0.00300 0.00100 S29 0.02300 0.01500 0.02300 0.00200 -0.00100 0.00200 S30 0.02300 0.01900 0.02400 -0.00500 0.00200 0.00200 S31 0.02600 0.01900 0.02800 -0.00100 0.00100 0.00000 S32 0.02200 0.02000 0.02100 -0.00100 0.00200 -0.00400 S33 0.02800 0.02300 0.03500 -0.00300 -0.00100 0.00900 S34 0.02800 0.02800 0.03200 0.00600 0.00200 0.00800 S35 0.01800 0.03600 0.02600 -0.00200 0.00700 0.00200 S36 0.02100 0.01800 0.02200 0.00100 0.00500 0.00100 S37 0.01300 0.01600 0.02800 -0.00300 0.00100 0.00200 S38 0.01900 0.01500 0.02500 -0.00300 0.00400 0.00000 S39 0.01400 0.01900 0.01800 -0.00100 0.00500 -0.00080 S40 0.02100 0.01700 0.02200 -0.00200 0.00400 0.00100 S41 0.02100 0.02100 0.01600 0.00300 0.00200 0.00100 S42 0.01900 0.01100 0.01800 -0.00600 0.00000 -0.00240 S43 0.01500 0.02000 0.01700 -0.00300 0.00000 -0.00200 S44 0.01800 0.02400 0.01900 0.00500 0.00400 -0.00500 S45 0.02000 0.02000 0.02100 -0.00300 0.00200 -0.00200 S46 0.01900 0.01300 0.02500 0.00200 -0.00300 0.00000 S47 0.02400 0.01800 0.02800 0.00000 -0.00100 -0.00200 S48 0.02200 0.01700 0.02600 -0.00400 0.00500 0.00900 S49 0.01900 0.01900 0.01800 0.00000 0.00000 -0.00200 S50 0.01500 0.01900 0.02100 0.00300 0.00400 -0.00400 S51 0.02500 0.01500 0.02000 0.00600 0.00700 0.00000 S52 0.02200 0.02600 0.01700 0.00100 0.00100 -0.00600 S53 0.02300 0.01400 0.01800 0.00300 0.00500 0.00600 S54 0.01900 0.02900 0.02200 0.00000 0.00700 0.00000 S55 0.03100 0.02000 0.02500 0.00500 0.00900 0.00300 S56 0.01600 0.02300 0.01700 -0.00200 0.00200 0.00200 S57 0.02500 0.02000 0.02000 -0.00200 0.00100 -0.00200 S58 0.02900 0.03000 0.03000 -0.01000 -0.00600 0.01300