Fettelite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the single crystal data of R100083 Bindi L, Keutsch F N, Francis C A, Menchetti S American Mineralogist 94 (2009) 609-615 Fettelite, [Ag6As2S7][Ag10HgAs2S8] from Chanarcillo, Chile: Crystal structure, pseudosymmetry, twinning, and revised chemical formula Locality: Chanarcillo, Chile _database_code_amcsd 0004906 CELL PARAMETERS: 26.2010 15.1370 15.6460 90.000 90.480 90.000 SPACE GROUP: C2 ATOM X Y Z OCCUPANCY ISO(B) Hg 0.12320 0.10984 0.50147 1.000 2.842 Hg 0.13062 0.61547 0.50052 1.000 2.842 Ag 0.27953 0.84120 0.91490 1.000 2.424 Ag 0.07790 0.47080 0.08660 1.000 2.787 Ag 0.04809 0.62500 -0.09580 1.000 2.479 Ag -0.02875 0.38910 0.08980 1.000 2.250 Ag -0.03269 -0.11260 0.09030 1.000 2.653 Ag 0.07740 -0.01990 0.08670 1.000 2.803 Ag 0.04708 0.12340 0.90500 1.000 2.590 Ag 0.16690 0.25030 0.91090 1.000 2.677 Ag 0.20505 0.10170 0.09800 1.000 2.290 Ag 0.28171 0.32950 0.91170 1.000 2.716 Ag 0.17850 0.75100 0.91240 1.000 2.882 Ag 0.20053 0.61580 0.09370 1.000 2.606 Ag 0.12915 -0.12340 0.71150 1.000 2.621 Ag 0.11721 0.63140 0.30250 1.000 2.487 Ag 0.01754 0.73310 0.30820 1.000 2.495 Ag 0.01463 0.23240 0.29600 1.000 2.495 Ag 0.13128 0.37920 0.70700 1.000 2.669 Ag 0.23560 0.48810 0.69790 1.000 2.724 Ag 0.11999 0.13510 0.30840 1.000 2.645 Ag 0.00000 0.75530 0.50000 1.000 2.827 Ag 0.13653 0.07920 0.69010 1.000 1.998 Ag 0.18308 0.29890 0.50060 1.000 2.171 Ag 0.13810 0.58100 0.69460 1.000 2.961 Ag 0.11439 0.33150 0.29910 1.000 2.724 Ag 0.17871 0.80620 0.49760 1.000 2.787 Ag 0.23450 -0.01130 0.69510 1.000 2.803 Ag 0.06948 -0.08010 0.50210 1.000 2.550 Ag 0.11638 0.83860 0.29380 1.000 2.274 Ag 0.24814 0.14560 0.50090 1.000 2.645 Ag 0.00000 0.29310 0.50000 1.000 2.874 Ag 0.24920 0.45410 0.50180 1.000 2.613 Ag 0.00000 0.10020 0.50000 1.000 2.985 Ag 0.07288 0.42450 0.50110 1.000 2.653 Ag 0.00000 0.56040 0.50000 1.000 2.471 As 0.08510 0.23070 0.07280 1.000 1.713 As 0.08060 0.73070 0.07380 1.000 1.998 As 0.16690 0.49130 0.92890 0.725 1.942 Sb 0.16690 0.49130 0.92890 0.275 1.942 As 0.16920 -0.00670 0.92680 0.841 1.777 Sb 0.16920 -0.00670 0.92680 0.159 1.777 As 0.24870 0.73810 0.28500 1.000 1.650 As 0.00020 0.47740 0.28580 0.789 1.721 Sb 0.00020 0.47740 0.28580 0.211 1.721 As 0.00120 -0.01880 0.71480 0.838 1.761 Sb 0.00120 -0.01880 0.71480 0.162 1.761 As 0.25060 0.23850 0.28480 1.000 1.974 S 0.00640 0.74780 0.15190 1.000 2.211 S 0.11730 0.11550 0.15250 1.000 1.895 S 0.24290 0.47150 0.85790 1.000 1.974 S 0.13500 0.60870 0.85480 1.000 1.421 S 0.01050 0.24810 0.13960 1.000 1.816 S 0.12580 -0.11160 0.87350 1.000 1.816 S 0.12040 0.38280 0.86220 1.000 1.895 S 0.12270 0.84540 0.12890 1.000 1.737 S 0.11280 0.61570 0.14670 1.000 2.211 S 0.12590 0.33990 0.13340 1.000 2.132 S 0.24120 -0.02220 0.85690 1.000 1.974 S 0.25410 0.70600 -0.00350 1.000 2.053 S 0.13160 0.10110 0.85020 1.000 1.816 S 0.00000 0.51940 0.00000 1.000 2.053 S 0.00000 0.01960 0.00000 1.000 1.816 S 0.21310 0.85380 0.35920 1.000 1.816 S 0.07530 -0.02050 0.35420 1.000 1.974 S 0.08580 0.74110 0.43480 1.000 1.579 S 0.08290 0.23340 0.43670 1.000 1.421 S 0.16630 -0.02150 0.56040 1.000 1.737 S 0.21270 0.62070 0.35060 1.000 1.500 S 0.07400 0.47780 0.35180 1.000 1.895 S 0.04390 -0.12780 0.65170 1.000 2.132 S -0.03790 0.36670 0.34970 1.000 1.737 S -0.03660 0.59280 0.35450 1.000 1.974 S 0.17440 0.24430 0.64560 1.000 1.737 S 0.21130 0.35380 0.35640 1.000 1.895 S 0.28590 0.62290 0.64940 1.000 1.579 S -0.03410 0.09450 0.36080 1.000 2.290 S 0.16960 0.73480 0.64560 1.000 1.421 S 0.16120 0.48330 0.56190 1.000 1.816 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 24 +/- 13 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 53.80143817 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 5.65 34.30 15.6455 0 0 1 11.31 21.19 7.8227 0 0 2 12.99 3.29 6.8132 0 2 1 14.62 6.67 6.0600 -4 0 1 14.63 2.24 6.0536 -2 2 1 14.68 9.81 6.0355 2 2 1 16.30 1.40 5.4394 0 2 2 17.62 7.76 5.0340 -2 2 2 17.73 1.72 5.0015 4 0 2 17.91 3.43 4.9528 4 2 0 18.83 1.36 4.7133 4 2 1 21.17 4.37 4.1966 -4 2 2 23.51 2.13 3.7843 0 4 0 23.52 3.38 3.7823 6 2 0 24.17 1.87 3.6825 -6 2 1 24.20 2.05 3.6782 0 4 1 24.25 1.79 3.6703 6 2 1 24.48 2.28 3.6356 2 4 0 24.87 2.13 3.5800 4 2 3 25.13 1.59 3.5431 -2 4 1 25.16 1.35 3.5394 2 4 1 27.22 19.79 3.2767 4 4 0 27.23 9.83 3.2750 8 0 0 27.78 25.82 3.2109 -8 0 1 27.84 44.61 3.2044 4 4 1 28.53 100.00 3.1291 0 0 5 29.06 2.15 3.0724 -6 2 3 29.16 3.36 3.0629 0 4 3 29.27 1.98 3.0513 6 2 3 29.48 17.20 3.0300 -8 0 2 29.51 2.07 3.0268 -4 4 2 29.60 35.51 3.0178 4 4 2 29.72 2.30 3.0057 8 2 0 30.24 10.75 2.9559 -8 2 1 30.32 10.29 2.9475 8 2 1 31.28 6.09 2.8598 6 4 0 31.78 1.43 2.8159 -6 4 1 31.81 5.43 2.8130 -8 2 2 31.84 3.69 2.8104 6 4 1 31.98 3.41 2.7985 8 2 2 32.15 5.16 2.7840 -8 0 3 32.20 26.17 2.7798 -4 4 3 32.33 10.87 2.7693 4 4 3 32.40 12.62 2.7631 8 0 3 33.30 7.14 2.6907 -6 4 2 33.42 2.36 2.6812 6 4 2 33.70 1.07 2.6598 2 4 4 34.32 1.74 2.6128 -8 2 3 34.56 3.34 2.5955 8 2 3 35.59 4.28 2.5228 0 6 0 35.67 30.32 2.5170 -4 4 4 35.90 4.99 2.5017 6 4 3 35.91 16.43 2.5007 8 0 4 36.06 2.69 2.4907 0 6 1 36.26 3.76 2.4773 2 6 0 36.28 2.55 2.4764 8 4 0 36.28 1.45 2.4759 10 2 0 36.44 1.40 2.4654 0 2 6 36.71 2.26 2.4484 -10 2 1 36.71 5.65 2.4483 -8 4 1 36.72 6.76 2.4474 -2 6 1 36.74 1.08 2.4462 2 6 1 36.78 1.54 2.4436 8 4 1 36.80 6.20 2.4424 10 2 1 37.16 1.79 2.4196 -6 2 5 37.16 1.87 2.4193 2 2 6 37.29 2.24 2.4115 0 4 5 37.43 1.62 2.4024 6 2 5 37.46 4.56 2.4011 0 6 2 37.60 5.30 2.3922 -8 2 4 37.89 2.67 2.3745 8 2 4 37.89 1.38 2.3744 -2 4 5 38.04 2.14 2.3652 -8 4 2 38.09 2.68 2.3628 -2 6 2 38.91 3.03 2.3146 -6 4 4 39.67 4.29 2.2720 -8 0 5 39.69 5.57 2.2711 0 6 3 39.75 3.64 2.2677 -4 4 5 39.92 8.88 2.2583 4 4 5 40.02 1.37 2.2530 8 0 5 40.33 1.68 2.2363 2 6 3 40.35 1.80 2.2351 0 0 7 40.42 1.42 2.2315 8 4 3 41.73 2.75 2.1647 -6 6 1 41.82 1.45 2.1599 12 0 1 41.83 1.26 2.1594 8 2 5 41.94 1.85 2.1541 -6 2 6 42.08 1.63 2.1472 0 4 6 42.24 1.64 2.1396 6 2 6 42.69 2.23 2.1181 -2 2 7 42.72 1.24 2.1168 -6 4 5 42.72 1.16 2.1166 2 4 6 42.94 2.29 2.1063 -6 6 2 42.96 1.67 2.1052 6 4 5 43.09 1.78 2.0995 -10 2 4 43.11 2.55 2.0984 12 0 2 43.11 1.00 2.0983 -8 4 4 43.20 1.19 2.0944 -2 6 4 43.26 2.40 2.0914 2 6 4 43.37 1.88 2.0863 8 4 4 43.41 2.70 2.0845 10 2 4 43.48 1.62 2.0814 -12 2 1 43.50 3.84 2.0805 -10 4 2 44.22 3.74 2.0483 -8 0 6 44.30 5.90 2.0445 -4 4 6 44.36 1.53 2.0421 -4 2 7 44.49 6.43 2.0362 4 4 6 44.60 3.19 2.0317 8 0 6 44.82 2.56 2.0221 12 2 2 44.87 1.75 2.0200 -12 0 3 45.06 2.85 2.0118 6 6 3 45.68 2.46 1.9861 10 4 3 45.74 1.90 1.9838 -8 6 1 45.90 4.68 1.9772 -8 2 6 46.22 3.43 1.9640 0 6 5 46.27 3.53 1.9622 8 2 6 46.53 2.57 1.9517 -12 2 3 46.60 1.42 1.9491 -10 2 5 46.81 2.43 1.9408 2 6 5 46.93 2.68 1.9359 8 4 5 47.03 1.06 1.9321 -6 4 6 47.30 1.37 1.9216 6 4 6 47.52 1.46 1.9133 -12 0 4 47.77 2.60 1.9038 6 6 4 48.09 8.38 1.8921 0 8 0 48.11 25.32 1.8912 12 4 0 48.64 1.85 1.8719 2 2 8 49.16 5.88 1.8534 -8 0 7 49.25 2.48 1.8500 -4 4 7 49.46 11.03 1.8428 4 4 7 49.57 1.27 1.8390 8 0 7 50.10 1.56 1.8207 2 8 2 50.32 1.03 1.8131 0 6 6 50.68 1.51 1.8014 -8 4 6 50.71 1.51 1.8002 -8 2 7 50.80 2.04 1.7974 -2 6 6 51.07 1.37 1.7884 10 2 6 51.37 1.11 1.7787 0 8 3 51.59 1.06 1.7715 -4 8 2 51.65 1.13 1.7697 4 8 2 51.77 1.07 1.7657 -6 4 7 52.65 1.19 1.7384 0 0 9 52.68 1.26 1.7374 0 4 8 53.09 1.13 1.7249 6 8 1 53.33 1.22 1.7178 -4 8 3 54.44 1.09 1.6853 -8 0 8 54.54 2.72 1.6824 -4 4 8 54.76 2.29 1.6762 4 4 8 54.88 1.43 1.6730 0 6 7 54.88 1.14 1.6729 8 0 8 54.95 1.88 1.6711 6 6 6 56.14 1.17 1.6383 8 8 0 56.17 1.36 1.6375 16 0 0 56.45 3.53 1.6301 -8 8 1 56.56 2.14 1.6272 16 0 1 56.69 6.69 1.6237 -12 4 5 56.87 3.83 1.6191 0 8 5 57.09 6.14 1.6133 12 4 5 57.21 1.21 1.6102 6 4 8 58.00 1.04 1.5902 -8 6 6 59.03 2.26 1.5649 -8 8 3 59.04 3.99 1.5645 0 0 10 59.29 2.10 1.5586 16 0 3 60.15 3.94 1.5383 -4 4 9 60.50 2.07 1.5302 8 0 9 61.18 2.45 1.5150 -16 0 4 61.45 2.93 1.5089 8 8 4 61.99 2.08 1.4971 -16 4 1 62.07 2.15 1.4952 14 6 1 64.04 1.17 1.4539 -8 8 5 64.44 1.03 1.4459 16 0 5 65.84 1.21 1.4185 4 10 3 65.95 1.19 1.4163 -8 0 10 66.31 2.22 1.4096 4 4 10 66.49 1.07 1.4062 -14 6 4 66.86 1.28 1.3993 16 4 4 67.26 1.06 1.3920 -16 0 6 67.66 1.61 1.3846 8 8 6 72.31 1.74 1.3067 -4 4 11 72.32 1.10 1.3066 -10 10 1 72.84 1.37 1.2984 14 6 6 75.68 1.12 1.2567 -12 8 6 76.79 1.00 1.2412 10 10 4 79.18 1.06 1.2097 4 4 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.