data_global _chemical_name_mineral 'Fettelite' loop_ _publ_author_name 'Bindi L' 'Downs R T' 'Spry P G' 'Pinch W W' 'Menchetti S' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 551 _journal_page_last 566 _publ_section_title ; A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R110042 ; _database_code_amcsd 0018798 _chemical_compound_source 'Odenwald, southwest Germany' _chemical_formula_sum '(Hg.786 Cu.213) Ag16 As4 S15' _cell_length_a 26.030 _cell_length_b 15.059 _cell_length_c 15.524 _cell_angle_alpha 90 _cell_angle_beta 90.45 _cell_angle_gamma 90 _cell_volume 6085.000 _exptl_crystal_density_diffrn 5.846 _symmetry_space_group_name_H-M 'C 1 2 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' 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 Hg1 0.12317 0.10741 0.50142 0.81100 0.02590 Cu1 0.12317 0.10741 0.50142 0.18900 0.02590 Hg2 0.13044 0.61371 0.50032 0.76200 0.02450 Cu2 0.13044 0.61371 0.50032 0.23800 0.02450 Ag1 0.27942 0.83547 0.91490 1.00000 0.03030 Ag2 0.07787 0.46518 0.08670 1.00000 0.02310 Ag3 0.04799 0.61918 -0.09576 1.00000 0.02070 Ag4 -0.02886 0.38295 0.08960 1.00000 0.02760 Ag5 -0.03282 -0.11871 0.09020 1.00000 0.02690 Ag6 0.07739 -0.02527 0.08670 1.00000 0.02400 Ag7 0.04706 0.11770 0.90500 1.00000 0.03040 Ag8 0.16718 0.24399 0.91080 1.00000 0.02400 Ag9 0.20512 0.09588 0.09780 1.00000 0.03010 Ag10 0.28159 0.32376 0.91150 1.00000 0.02340 Ag11 0.17838 0.74481 0.91220 1.00000 0.02870 Ag12 0.20066 0.61000 0.09360 1.00000 0.03300 Ag13 0.12931 -0.12908 0.71130 1.00000 0.02270 Ag14 0.11725 0.62574 0.30260 1.00000 0.02880 Ag15 0.01748 0.72701 0.30820 1.00000 0.02620 Ag16 0.01481 0.22640 0.29650 1.00000 0.03040 Ag17 0.13132 0.37339 0.70689 1.00000 0.01960 Ag18 0.23574 0.48206 0.69800 1.00000 0.02480 Ag19 0.12004 0.12922 0.30830 1.00000 0.02640 Ag20 0.00000 0.73160 0.50000 1.00000 0.03020 Ag21 0.13640 0.07349 0.68980 1.00000 0.02390 Ag22 0.18294 0.29352 0.50070 1.00000 0.02680 Ag23 0.13781 0.57552 0.69450 1.00000 0.02820 Ag24 0.11447 0.32572 0.29886 1.00000 0.02210 Ag25 0.17866 0.80057 0.49760 1.00000 0.02580 Ag26 0.23458 -0.01717 0.69530 1.00000 0.02690 Ag27 0.06951 -0.08579 0.50236 1.00000 0.02110 Ag28 0.11660 0.83255 0.29370 1.00000 0.02830 Ag29 0.24810 0.13996 0.50085 1.00000 0.02200 Ag30 0.00000 0.28740 0.50000 1.00000 0.02300 Ag31 0.24918 0.44863 0.50170 1.00000 0.02340 Ag32 0.00000 0.09450 0.50000 1.00000 0.02620 Ag33 0.07276 0.41872 0.50135 1.00000 0.02220 Ag34 0.00000 0.57620 0.50000 1.00000 0.02170 As1 0.08490 0.22500 0.07298 1.00000 0.02330 As2 0.08060 0.72480 0.07410 1.00000 0.02570 As3 0.16697 0.48560 0.92890 1.00000 0.02110 As4 0.16915 -0.01250 0.92660 1.00000 0.01940 As5 0.24888 0.73250 0.28500 1.00000 0.02070 As6 0.00058 0.47160 0.28600 1.00000 0.02080 As7 0.00114 -0.02440 0.71490 1.00000 0.02090 As8 0.25080 0.23280 0.28490 1.00000 0.02000 S1 0.00610 0.74170 0.15190 1.00000 0.03300 S2 0.11730 0.11030 0.15320 1.00000 0.03900 S3 0.24400 0.46620 0.85810 1.00000 0.03900 S4 0.13530 0.60300 0.85490 1.00000 0.03000 S5 0.01050 0.24210 0.13960 1.00000 0.04200 S6 0.12610 -0.11700 0.87360 1.00000 0.03100 S7 0.12120 0.37690 0.86200 1.00000 0.02900 S8 0.12280 0.84010 0.13000 1.00000 0.03500 S9 0.11280 0.60950 0.14670 1.00000 0.03400 S10 0.12580 0.33480 0.13390 1.00000 0.03700 S11 0.24170 -0.02760 0.85670 1.00000 0.04200 S12 0.25420 0.70080 -0.00320 1.00000 0.03400 S13 0.13250 0.09530 0.85120 1.00000 0.03700 S14 0.00000 0.51410 0.00000 1.00000 0.04000 S15 0.00000 0.01400 0.00000 1.00000 0.03200 S16 0.21330 0.84940 0.35970 1.00000 0.03800 S17 0.07550 -0.02610 0.35360 1.00000 0.03700 S18 0.08570 0.74030 0.45310 1.00000 0.03200 S19 0.08280 0.23050 0.44140 1.00000 0.03800 S20 0.16680 -0.02420 0.54650 1.00000 0.03400 S21 0.21260 0.61450 0.35100 1.00000 0.03600 S22 0.07420 0.47320 0.35110 1.00000 0.03700 S23 0.04310 -0.13460 0.65040 1.00000 0.03400 S24 -0.03760 0.36100 0.35090 1.00000 0.03400 S25 -0.03580 0.58700 0.35510 1.00000 0.03100 S26 0.17330 0.23900 0.64470 1.00000 0.03300 S27 0.21130 0.34910 0.35640 1.00000 0.03300 S28 0.28570 0.61650 0.64930 1.00000 0.03600 S29 -0.03360 0.08930 0.36120 1.00000 0.03300 S30 0.16920 0.72960 0.64420 1.00000 0.03800 S31 0.16050 0.48180 0.55930 1.00000 0.03300 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 Hg1 0.02550 0.02570 0.02640 -0.00020 -0.00020 0.00030 Cu1 0.02550 0.02570 0.02640 -0.00020 -0.00020 0.00030 Hg2 0.02460 0.02430 0.02470 -0.00050 0.00120 0.00030 Cu2 0.02460 0.02430 0.02470 -0.00050 0.00120 0.00030 Ag1 0.02960 0.03160 0.02970 0.00030 0.00040 -0.00040 Ag2 0.02380 0.02170 0.02400 -0.00200 0.00060 -0.00080 Ag3 0.02040 0.02080 0.02090 -0.00050 -0.00030 -0.00030 Ag4 0.02680 0.02810 0.02780 -0.00010 -0.00040 0.00040 Ag5 0.02960 0.02590 0.02520 0.00060 0.00280 0.00040 Ag6 0.02600 0.02210 0.02390 -0.00120 0.00140 -0.00120 Ag7 0.03040 0.02930 0.03160 0.00100 0.00040 0.00130 Ag8 0.02360 0.02490 0.02350 0.00220 -0.00130 0.00080 Ag9 0.03080 0.03020 0.02950 -0.00110 0.00280 0.00020 Ag10 0.02390 0.02250 0.02370 -0.00100 0.00110 -0.00080 Ag11 0.03000 0.02620 0.02980 -0.00260 -0.00120 -0.00050 Ag12 0.03060 0.03550 0.03280 -0.00060 -0.00040 0.00070 Ag13 0.02410 0.02200 0.02200 0.00000 0.00130 0.00000 Ag14 0.02950 0.02790 0.02890 -0.00080 -0.00090 0.00000 Ag15 0.02490 0.02710 0.02670 0.00000 -0.00250 0.00020 Ag16 0.02870 0.03240 0.03010 -0.00130 -0.00040 -0.00070 Ag17 0.01840 0.02000 0.02040 0.00040 -0.00140 0.00060 Ag18 0.02360 0.02520 0.02570 -0.00060 0.00130 -0.00020 Ag19 0.02860 0.02520 0.02530 0.00000 0.00120 0.00000 Ag20 0.03230 0.02860 0.02960 0.00000 0.00410 0.00000 Ag21 0.02240 0.02590 0.02340 0.00110 -0.00290 0.00070 Ag22 0.02840 0.02670 0.02530 -0.00040 -0.00110 -0.00040 Ag23 0.02710 0.02960 0.02770 0.00010 -0.00180 0.00130 Ag24 0.02300 0.02110 0.02220 0.00100 -0.00020 0.00100 Ag25 0.02590 0.02570 0.02580 -0.00040 0.00050 -0.00090 Ag26 0.02700 0.02630 0.02740 -0.00130 0.00070 -0.00050 Ag27 0.02320 0.01930 0.02060 -0.00030 0.00220 -0.00060 Ag28 0.02860 0.02830 0.02810 0.00150 -0.00050 0.00010 Ag29 0.02140 0.02100 0.02350 -0.00060 0.00140 -0.00050 Ag30 0.02420 0.02070 0.02420 0.00000 0.00360 0.00000 Ag31 0.02040 0.02520 0.02460 -0.00120 -0.00230 -0.00060 Ag32 0.02550 0.02750 0.02570 0.00000 -0.00030 0.00000 Ag33 0.02180 0.02270 0.02210 -0.00050 0.00170 0.00040 Ag34 0.02330 0.02000 0.02190 0.00000 0.00110 0.00000 As1 0.02200 0.02550 0.02220 0.00070 -0.00160 -0.00040 As2 0.02540 0.02550 0.02610 -0.00070 -0.00130 -0.00100 As3 0.02190 0.02060 0.02100 -0.00030 -0.00020 -0.00040 As4 0.01980 0.01950 0.01910 -0.00070 0.00160 -0.00070 As5 0.02090 0.02090 0.02010 -0.00010 -0.00120 -0.00160 As6 0.01930 0.02080 0.02230 -0.00250 -0.00010 -0.00020 As7 0.02030 0.02150 0.02090 0.00120 -0.00050 -0.00140 As8 0.01880 0.02080 0.02030 -0.00030 -0.00200 0.00000 S1 0.03100 0.03500 0.03300 0.00600 -0.00200 0.00120 S2 0.03700 0.03700 0.04400 0.00400 0.00300 0.00100 S3 0.04000 0.03100 0.04700 0.00200 0.00400 -0.00300 S4 0.02800 0.03300 0.02800 -0.00400 -0.00100 -0.00190 S5 0.03900 0.04800 0.03900 0.00500 0.00100 -0.00100 S6 0.04200 0.02600 0.02400 0.00000 0.00100 0.00240 S7 0.02900 0.02700 0.03200 -0.00200 -0.00200 0.00180 S8 0.03500 0.03000 0.04000 0.00300 -0.00200 -0.00070 S9 0.03600 0.03000 0.03700 0.00200 0.00100 0.00120 S10 0.03700 0.03600 0.03600 -0.00100 -0.00300 0.00000 S11 0.04200 0.04200 0.04100 -0.00300 0.00000 -0.00400 S12 0.02900 0.03700 0.03600 0.00200 -0.01000 0.00100 S13 0.04100 0.03500 0.03600 -0.00300 -0.00200 -0.00040 S14 0.03400 0.02900 0.05700 0.00000 -0.00100 0.00000 S15 0.02400 0.02700 0.04500 0.00000 0.00200 0.00000 S16 0.04900 0.03200 0.03400 0.00400 0.00700 0.00340 S17 0.02800 0.04100 0.04200 0.00400 -0.00100 0.00300 S18 0.02900 0.03200 0.03300 0.00200 0.00500 -0.00210 S19 0.03400 0.04600 0.03300 -0.00400 0.00300 -0.00300 S20 0.03700 0.03400 0.03000 -0.00200 0.00600 0.00560 S21 0.04700 0.02500 0.03400 0.00200 0.00200 -0.00030 S22 0.02700 0.04600 0.03900 0.00700 -0.00300 0.00700 S23 0.03900 0.02900 0.03400 0.00400 0.00100 0.00110 S24 0.04100 0.03500 0.02600 0.00100 0.00200 -0.00150 S25 0.03000 0.02400 0.03800 0.00400 0.00100 0.00230 S26 0.03400 0.03000 0.03500 -0.00300 0.00400 -0.00010 S27 0.03800 0.02600 0.03500 -0.00100 0.00400 0.00020 S28 0.03900 0.03800 0.03200 -0.00600 -0.00300 -0.00300 S29 0.02300 0.03500 0.04100 0.00500 -0.00400 0.00310 S30 0.04200 0.03600 0.03400 -0.00400 0.00100 0.00200 S31 0.03700 0.03100 0.03100 -0.00400 0.00800 -0.00140