data_global _chemical_name_mineral 'Ferrofettelite' 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: R100124 ; _database_code_amcsd 0018797 _chemical_compound_source 'Odenwald, southwest Germany' _chemical_formula_sum '(Fe.526 Hg.474) Ag16 As4 S15' _cell_length_a 26.011 _cell_length_b 15.048 _cell_length_c 15.513 _cell_angle_alpha 90 _cell_angle_beta 90.40 _cell_angle_gamma 90 _cell_volume 6071.850 _exptl_crystal_density_diffrn 5.756 _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 Fe1 0.12290 0.10428 0.50143 0.54600 0.01750 Hg1 0.12290 0.10428 0.50143 0.45400 0.01750 Fe2 0.13030 0.61018 0.50011 0.50600 0.01730 Hg2 0.13030 0.61018 0.50011 0.49400 0.01730 Ag1 0.28021 0.83512 0.91440 1.00000 0.02590 Ag2 0.07835 0.46559 0.08702 1.00000 0.02470 Ag3 0.04773 0.61816 -0.09586 1.00000 0.02018 Ag4 -0.02857 0.38326 0.08976 1.00000 0.01871 Ag5 -0.03304 -0.11835 0.08981 1.00000 0.01957 Ag6 0.07675 -0.02592 0.08682 1.00000 0.02065 Ag7 0.04689 0.11624 0.90526 1.00000 0.01833 Ag8 0.16703 0.24525 0.91108 1.00000 0.01903 Ag9 0.20499 0.09411 0.09844 1.00000 0.02540 Ag10 0.28137 0.32277 0.91184 1.00000 0.02240 Ag11 0.17836 0.74447 0.91295 1.00000 0.01897 Ag12 0.20062 0.60923 0.09394 1.00000 0.02076 Ag13 0.12902 -0.12902 0.71083 1.00000 0.02133 Ag14 0.11669 0.62581 0.30174 1.00000 0.02276 Ag15 0.01731 0.72843 0.30764 1.00000 0.01605 Ag16 0.01448 0.22697 0.29593 1.00000 0.01684 Ag17 0.13161 0.37402 0.70735 1.00000 0.02002 Ag18 0.23521 0.48299 0.69742 1.00000 0.01990 Ag19 0.11995 0.12830 0.30838 1.00000 0.02386 Ag20 0.00000 0.75526 0.50000 1.00000 0.01890 Ag21 0.13656 0.07341 0.69020 1.00000 0.01554 Ag22 0.18300 0.29319 0.50033 1.00000 0.01686 Ag23 0.13753 0.57402 0.69499 1.00000 0.01912 Ag24 0.11434 0.32675 0.29817 1.00000 0.02107 Ag25 0.17829 0.80086 0.49719 1.00000 0.02178 Ag26 0.23462 -0.01597 0.69520 1.00000 0.01659 Ag27 0.06952 -0.08556 0.50162 1.00000 0.01937 Ag28 0.11663 0.83269 0.29454 1.00000 0.02098 Ag29 0.24802 0.13711 0.50137 1.00000 0.01682 Ag30 0.00000 0.28369 0.50000 1.00000 0.01910 Ag31 0.24856 0.45515 0.50208 1.00000 0.01653 Ag32 0.00000 0.09672 0.50000 1.00000 0.02400 Ag33 0.07230 0.41941 0.50040 1.00000 0.02052 Ag34 0.00000 0.56031 0.50000 1.00000 0.01567 As1 0.08444 0.22513 0.07232 1.00000 0.02200 As2 0.08084 0.72355 0.07285 1.00000 0.02030 As3 0.16626 0.48536 0.92769 1.00000 0.01840 As4 0.16989 -0.01196 0.92668 1.00000 0.02160 As5 0.24901 0.73297 0.28512 1.00000 0.01700 As6 0.00013 0.47190 0.28488 1.00000 0.01800 As7 0.00114 -0.02438 0.71439 1.00000 0.01420 As8 0.25028 0.23298 0.28479 1.00000 0.01500 S1 0.00661 0.74554 0.15107 1.00000 0.02230 S2 0.11788 0.11159 0.15381 1.00000 0.02490 S3 0.24226 0.46568 0.85759 1.00000 0.01780 S4 0.13515 0.60325 0.85525 1.00000 0.01400 S5 0.01035 0.24233 0.13887 1.00000 0.01680 S6 0.12487 -0.11805 0.87426 1.00000 0.02030 S7 0.12064 0.37808 0.86105 1.00000 0.01980 S8 0.12282 0.83964 0.12975 1.00000 0.01430 S9 0.11306 0.61056 0.14685 1.00000 0.01910 S10 0.12580 0.33539 0.13245 1.00000 0.02200 S11 0.24145 -0.02660 0.85481 1.00000 0.01670 S12 0.25443 0.69873 -0.00351 1.00000 0.01900 S13 0.13136 0.09774 0.85122 1.00000 0.01290 S14 0.00000 0.51168 0.00000 1.00000 0.01300 S15 0.00000 0.01297 0.00000 1.00000 0.02000 S16 0.21319 0.84667 0.35884 1.00000 0.01600 S17 0.07400 -0.02650 0.35289 1.00000 0.01580 S18 0.08550 0.73689 0.46472 1.00000 0.01560 S19 0.08326 0.22844 0.44726 1.00000 0.01720 S20 0.16669 -0.02623 0.53039 1.00000 0.01310 S21 0.21299 0.61444 0.35125 1.00000 0.01470 S22 0.07369 0.47227 0.35161 1.00000 0.01160 S23 0.04260 -0.13486 0.65087 1.00000 0.01800 S24 -0.03842 0.36196 0.34823 1.00000 0.01470 S25 -0.03742 0.58788 0.35383 1.00000 0.01550 S26 0.17414 0.23817 0.64448 1.00000 0.01450 S27 0.21099 0.34744 0.35752 1.00000 0.01060 S28 0.28549 0.61957 0.65009 1.00000 0.01590 S29 -0.03374 0.08965 0.36107 1.00000 0.01100 S30 0.16878 0.72989 0.64438 1.00000 0.01780 S31 0.16113 0.47849 0.55879 1.00000 0.01040 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 Fe1 0.01671 0.01724 0.01860 -0.00001 0.00049 0.00003 Hg1 0.01671 0.01724 0.01860 -0.00001 0.00049 0.00003 Fe2 0.01660 0.01696 0.01832 0.00011 0.00047 0.00011 Hg2 0.01660 0.01696 0.01832 0.00011 0.00047 0.00011 Ag1 0.02590 0.02531 0.02657 -0.00011 0.00063 -0.00018 Ag2 0.02440 0.02430 0.02536 -0.00016 0.00050 0.00019 Ag3 0.01970 0.02005 0.02085 -0.00003 0.00059 0.00014 Ag4 0.01876 0.01833 0.01906 0.00033 0.00040 -0.00007 Ag5 0.01900 0.01934 0.02040 0.00016 0.00022 0.00009 Ag6 0.02050 0.02072 0.02075 0.00006 0.00049 0.00024 Ag7 0.01800 0.01807 0.01889 -0.00015 0.00044 -0.00023 Ag8 0.01860 0.01870 0.01974 0.00020 -0.00008 0.00010 Ag9 0.02550 0.02514 0.02567 -0.00007 0.00122 -0.00013 Ag10 0.02190 0.02224 0.02312 -0.00032 0.00045 -0.00011 Ag11 0.01873 0.01894 0.01924 -0.00022 0.00068 0.00001 Ag12 0.02090 0.01995 0.02147 -0.00027 0.00067 -0.00002 Ag13 0.02110 0.02094 0.02199 0.00002 0.00037 -0.00005 Ag14 0.02270 0.02187 0.02368 0.00003 0.00119 -0.00005 Ag15 0.01589 0.01513 0.01715 -0.00023 0.00058 0.00003 Ag16 0.01618 0.01658 0.01777 -0.00042 -0.00004 -0.00010 Ag17 0.01960 0.01958 0.02086 0.00000 0.00011 -0.00025 Ag18 0.01990 0.01948 0.02034 0.00065 0.00029 0.00023 Ag19 0.02380 0.02298 0.02485 -0.00021 0.00114 -0.00042 Ag20 0.01900 0.01890 0.01887 0.00000 0.00061 0.00000 Ag21 0.01533 0.01476 0.01653 -0.00037 0.00076 0.00018 Ag22 0.01644 0.01664 0.01750 0.00001 0.00017 -0.00004 Ag23 0.01898 0.01825 0.02014 -0.00035 0.00083 0.00010 Ag24 0.02100 0.02051 0.02173 -0.00032 0.00073 0.00022 Ag25 0.02190 0.02086 0.02257 0.00013 0.00074 -0.00007 Ag26 0.01610 0.01638 0.01730 0.00020 0.00022 0.00017 Ag27 0.01960 0.01848 0.01998 0.00020 0.00064 0.00005 Ag28 0.02130 0.01983 0.02183 -0.00040 0.00088 0.00033 Ag29 0.01670 0.01637 0.01743 -0.00002 0.00051 -0.00009 Ag30 0.01910 0.01835 0.01994 0.00000 0.00069 0.00000 Ag31 0.01570 0.01611 0.01774 0.00004 0.00013 0.00006 Ag32 0.02400 0.02320 0.02487 0.00000 0.00090 0.00000 Ag33 0.02040 0.01981 0.02136 0.00029 0.00056 0.00002 Ag34 0.01610 0.01497 0.01591 0.00000 0.00065 0.00000 As1 0.02160 0.02150 0.02280 -0.00080 -0.00010 -0.00041 As2 0.01970 0.02000 0.02120 0.00003 0.00030 0.00004 As3 0.01730 0.01870 0.01899 0.00018 0.00040 -0.00044 As4 0.02190 0.02090 0.02200 -0.00067 0.00030 -0.00054 As5 0.01710 0.01650 0.01753 0.00033 0.00090 0.00029 As6 0.01760 0.01770 0.01864 0.00003 0.00080 0.00043 As7 0.01450 0.01340 0.01462 -0.00014 0.00078 -0.00006 As8 0.01530 0.01436 0.01531 0.00029 0.00080 0.00042 S1 0.02090 0.02270 0.02310 0.00160 0.00180 -0.00220 S2 0.02400 0.02470 0.02580 -0.00050 0.00030 0.00100 S3 0.01720 0.01760 0.01870 0.00090 0.00050 -0.00010 S4 0.01500 0.01230 0.01460 0.00090 0.00130 0.00050 S5 0.01540 0.01670 0.01830 -0.00030 0.00060 0.00070 S6 0.02100 0.01850 0.02130 0.00200 0.00160 -0.00040 S7 0.01930 0.01900 0.02120 0.00030 0.00240 0.00030 S8 0.01370 0.01390 0.01510 -0.00010 0.00050 0.00040 S9 0.01870 0.01930 0.01920 -0.00090 0.00060 0.00010 S10 0.02060 0.02200 0.02330 0.00020 0.00090 0.00070 S11 0.01800 0.01520 0.01710 -0.00100 0.00030 0.00060 S12 0.01840 0.01880 0.01990 -0.00030 0.00030 0.00070 S13 0.01230 0.01240 0.01410 0.00070 0.00040 0.00030 S14 0.01430 0.01020 0.01450 0.00000 -0.00030 0.00000 S15 0.01880 0.01990 0.02130 0.00000 -0.00020 0.00000 S16 0.01560 0.01660 0.01580 -0.00050 0.00020 0.00040 S17 0.01530 0.01560 0.01630 -0.00120 -0.00030 0.00060 S18 0.01340 0.01510 0.01810 0.00010 -0.00110 -0.00160 S19 0.01500 0.01720 0.01930 -0.00060 -0.00180 -0.00090 S20 0.01120 0.01340 0.01460 0.00070 0.00050 0.00010 S21 0.01630 0.01320 0.01450 0.00040 -0.00010 -0.00050 S22 0.01150 0.01190 0.01130 -0.00150 -0.00020 0.00010 S23 0.01650 0.01980 0.01760 -0.00100 -0.00180 0.00060 S24 0.01440 0.01560 0.01420 0.00010 -0.00030 0.00030 S25 0.01460 0.01640 0.01540 -0.00070 0.00010 -0.00080 S26 0.01310 0.01530 0.01520 0.00020 -0.00010 0.00030 S27 0.00990 0.01050 0.01150 -0.00020 0.00000 0.00010 S28 0.01570 0.01530 0.01680 0.00150 -0.00030 0.00020 S29 0.01070 0.01160 0.01060 -0.00100 0.00090 -0.00050 S30 0.01840 0.01710 0.01810 0.00060 0.00100 -0.00040 S31 0.00880 0.01060 0.01180 -0.00010 -0.00110 -0.00040