Xanthoconite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080013 Rosenstingl J, Pertlik F Mitteilungen der Osterreichischen Mineralogischen Gesellschaft 138 (1993) 9-16 Neuberechnung der kristallstruktur von naturlichem und synthetischem monoklinen Ag3AsS3 (= xanthokon) nebst einer diskussion zur symmetrie Locality: synthetic CELL PARAMETERS: 12.0050 6.2570 17.0620 90.000 111.010 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ag 0.14210 0.03290 0.21710 1.000 5.240 Ag 0.06410 0.94030 0.43880 1.000 4.884 Ag 0.36030 0.04630 0.13730 1.000 6.160 As 0.35770 0.05590 0.42880 1.000 2.122 S 0.15350 0.19340 0.08460 1.000 2.533 S 0.42550 0.13990 0.32580 1.000 2.915 S 0.16580 0.14360 0.35990 1.000 2.435 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 5 +/- 14 MAX. ABS. INTENSITY / VOLUME**2: 41.57672724 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.74 1.04 5.6301 -2 0 2 16.21 10.78 5.4693 -1 1 1 16.22 13.81 5.4632 1 1 0 18.01 2.38 4.9244 -1 1 2 21.20 7.08 4.1911 -1 1 3 21.27 1.33 4.1773 1 1 2 22.33 15.71 3.9819 0 0 4 22.44 10.64 3.9626 2 0 2 25.27 3.74 3.5244 -1 1 4 25.35 3.02 3.5129 1 1 3 26.57 17.95 3.3545 -3 1 2 26.61 7.35 3.3503 -3 1 1 27.81 5.43 3.2075 3 1 0 28.53 57.60 3.1285 0 2 0 29.09 29.32 3.0698 0 2 1 29.91 100.00 2.9872 -3 1 4 29.99 86.56 2.9795 1 1 4 31.70 17.49 2.8223 -2 0 6 31.79 5.55 2.8151 -4 0 4 31.90 1.69 2.8055 2 0 4 31.94 52.73 2.8017 4 0 0 32.27 13.71 2.7743 -2 2 1 33.17 29.01 2.7010 3 1 2 33.76 5.69 2.6546 0 0 6 34.19 13.23 2.6226 -2 2 3 34.26 1.26 2.6172 2 2 1 34.90 10.97 2.5708 -1 1 6 36.49 2.35 2.4622 -2 2 4 36.60 7.93 2.4555 2 2 2 36.70 7.60 2.4485 -3 1 6 37.39 4.06 2.4050 -4 0 6 37.66 2.65 2.3884 4 0 2 39.53 2.24 2.2798 -2 2 5 40.28 1.13 2.2388 1 1 6 40.36 9.55 2.2350 -5 1 2 40.41 4.41 2.2321 0 2 5 42.14 15.46 2.1445 -4 2 1 42.38 19.25 2.1327 -2 0 8 42.59 7.70 2.1226 2 0 6 43.17 3.92 2.0956 -2 2 6 43.35 13.52 2.0871 4 2 0 44.16 1.58 2.0508 -1 3 1 44.77 2.39 2.0241 0 2 6 44.94 1.03 2.0170 1 3 1 45.45 3.08 1.9955 -4 0 8 45.56 2.34 1.9910 0 0 8 45.64 1.00 1.9878 -3 1 8 45.66 4.73 1.9870 -6 0 4 45.69 3.79 1.9856 -1 1 8 45.75 1.96 1.9834 -6 0 2 45.80 8.81 1.9813 4 0 4 45.80 1.79 1.9812 1 1 7 46.41 4.38 1.9564 -1 3 3 46.45 2.58 1.9550 1 3 2 47.32 13.93 1.9212 -2 2 7 47.70 2.02 1.9067 -4 2 6 47.92 3.04 1.8984 4 2 2 48.20 3.09 1.8880 5 1 2 48.51 7.55 1.8767 -6 0 6 48.64 12.24 1.8719 1 3 3 48.75 1.53 1.8678 6 0 0 49.35 2.83 1.8468 -3 3 2 50.03 2.93 1.8231 -3 3 3 50.09 1.93 1.8211 3 3 0 51.12 2.02 1.7867 4 2 3 51.39 2.17 1.7781 -1 3 5 51.40 13.84 1.7778 -3 3 4 51.45 10.62 1.7762 1 3 4 51.74 1.34 1.7669 5 1 3 51.89 5.84 1.7622 -2 2 8 52.07 4.59 1.7565 2 2 6 53.55 1.01 1.7114 3 3 2 53.91 1.21 1.7008 -2 0 10 53.94 5.09 1.6998 -6 0 8 54.13 1.28 1.6942 2 0 8 54.43 2.59 1.6856 -6 2 3 54.80 1.76 1.6751 -6 2 2 55.18 1.14 1.6646 -4 0 10 55.58 3.85 1.6536 4 0 6 55.62 1.93 1.6523 -7 1 4 55.77 2.73 1.6484 5 1 4 56.19 1.75 1.6370 3 3 3 56.36 6.92 1.6325 -7 1 2 57.03 5.40 1.6150 2 2 7 57.24 2.84 1.6094 -6 2 6 57.36 4.33 1.6064 -1 1 10 58.70 1.06 1.5728 -4 2 9 59.42 1.38 1.5556 -6 2 7 59.61 1.30 1.5510 7 1 0 59.78 1.77 1.5469 -5 1 10 60.50 1.53 1.5302 -5 3 5 61.23 1.59 1.5137 -2 4 1 62.15 1.73 1.4936 -6 2 8 62.43 1.30 1.4876 -2 4 3 62.51 1.71 1.4858 5 3 1 63.65 2.16 1.4620 1 1 10 63.65 1.72 1.4619 4 2 6 64.68 2.18 1.4411 -5 3 7 65.15 1.48 1.4319 7 1 2 67.84 1.88 1.3815 -4 4 1 67.89 2.07 1.3806 5 3 3 68.19 1.31 1.3753 -7 1 10 71.00 1.13 1.3275 -5 3 9 71.72 1.66 1.3160 -2 4 7 72.75 1.10 1.2998 -1 3 10 73.64 1.02 1.2863 -4 2 12 74.18 2.64 1.2784 3 1 10 74.91 1.03 1.2677 -5 3 10 78.29 1.76 1.2211 -1 3 11 79.63 1.82 1.2039 2 4 7 79.92 2.72 1.2003 1 5 3 80.55 1.05 1.1926 -9 1 10 80.99 1.18 1.1872 -3 5 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.