Argentopyrite Diffraction data computed using the structure and the single crsytal data from the paper below. Yang H, Pinch W W, Downs R T American Mineralogist 94 (2009) 1727-1730 Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite Locality: Joachimstal, Bohemia, Czech Republic, type sample CELL PARAMETERS: 6.6902 11.4497 6.4525 90.000 90.000 90.242 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Ag 0.33197 0.16461 0.38491 1.000 2.653 Fe 0.83066 0.32887 0.37493 1.000 1.248 Fe 0.32872 0.49989 0.37518 1.000 1.216 S 0.14775 0.34665 0.27103 1.000 1.611 S 0.64979 0.48920 0.26747 1.000 1.374 S 0.68393 0.17049 0.23119 1.000 1.374 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 10 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 20.00309256 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.31 3.53 5.7870 -1 1 0 15.37 17.86 5.7657 1 1 0 15.48 5.18 5.7248 0 2 0 15.77 18.38 5.6213 0 1 1 19.11 19.43 4.6443 1 0 1 20.62 4.02 4.3082 1 -1 1 20.74 4.56 4.2823 0 2 1 24.65 42.76 3.6119 -1 2 1 24.72 84.94 3.6016 1 2 1 26.65 77.48 3.3451 2 0 0 26.84 87.53 3.3211 -1 3 0 26.94 65.25 3.3090 1 3 0 27.15 32.73 3.2849 0 3 1 27.65 19.19 3.2262 0 0 2 28.75 100.00 3.1053 0 1 2 30.09 8.01 2.9697 2 0 1 30.27 11.08 2.9529 -1 3 1 30.36 12.04 2.9444 1 3 1 30.77 40.52 2.9060 1 0 2 30.90 2.51 2.8935 -2 2 0 31.02 9.04 2.8829 2 2 0 31.08 20.97 2.8772 2 -1 1 31.14 41.85 2.8720 2 1 1 31.25 1.65 2.8624 0 4 0 31.78 1.74 2.8155 1 1 2 33.95 5.34 2.6402 2 -2 1 34.27 4.24 2.6165 0 4 1 34.59 25.72 2.5932 -1 2 2 34.64 6.11 2.5893 1 2 2 36.84 24.57 2.4400 -1 4 1 36.94 14.89 2.4336 1 4 1 38.33 3.48 2.3480 -2 3 1 38.48 2.76 2.3395 2 3 1 38.78 2.10 2.3222 2 0 2 38.92 3.89 2.3141 -1 3 2 38.99 3.02 2.3100 1 3 2 39.58 13.34 2.2771 2 -1 2 39.62 6.13 2.2745 2 1 2 41.21 1.39 2.1907 -3 1 0 41.63 2.43 2.1693 -1 5 0 41.75 1.70 2.1637 1 5 0 41.86 2.32 2.1580 0 5 1 42.78 4.19 2.1139 0 1 3 42.91 7.81 2.1077 3 0 1 43.70 1.84 2.0714 3 1 1 44.02 1.50 2.0571 2 4 1 44.38 4.54 2.0411 -1 4 2 44.47 8.33 2.0374 1 4 2 44.96 2.09 2.0161 1 -1 3 45.03 2.61 2.0134 0 2 3 45.67 10.39 1.9864 -2 3 2 45.80 9.92 1.9812 2 3 2 45.94 1.78 1.9754 3 2 1 47.11 49.29 1.9290 -3 3 0 47.12 2.33 1.9288 -1 2 3 47.16 11.08 1.9272 1 2 3 47.30 48.36 1.9219 3 3 0 47.66 47.03 1.9083 0 6 0 48.59 1.91 1.8738 0 3 3 48.77 17.34 1.8674 0 5 2 50.22 9.61 1.8167 -2 5 1 50.41 3.37 1.8101 2 5 1 50.44 39.50 1.8091 2 0 3 50.56 37.09 1.8053 -1 3 3 50.62 40.39 1.8034 1 3 3 51.10 1.48 1.7876 2 -1 3 51.13 7.36 1.7863 2 1 3 51.85 1.15 1.7633 1 6 1 52.32 15.09 1.7487 3 -2 2 52.43 12.09 1.7452 3 2 2 54.89 6.83 1.6725 4 0 0 55.11 6.06 1.6664 -1 4 3 55.19 1.46 1.6644 1 4 3 55.32 5.02 1.6605 -2 6 0 55.50 2.98 1.6556 3 -3 2 55.54 8.60 1.6545 2 6 0 55.67 2.94 1.6511 3 3 2 55.99 2.89 1.6425 0 6 2 56.52 5.39 1.6281 2 5 2 56.87 2.45 1.6190 4 0 1 57.10 4.49 1.6131 0 0 4 57.29 1.46 1.6081 -2 6 1 57.45 5.39 1.6040 4 -1 1 57.50 1.13 1.6027 2 6 1 57.52 3.12 1.6022 4 1 1 57.75 4.09 1.5964 -1 6 2 57.86 4.70 1.5938 1 6 2 58.91 1.66 1.5677 0 5 3 59.78 7.20 1.5469 -3 4 2 59.99 9.02 1.5421 3 4 2 62.16 1.65 1.4933 3 2 3 63.17 3.04 1.4718 4 1 2 63.80 6.19 1.4589 0 7 2 64.09 1.97 1.4530 2 0 4 64.19 1.39 1.4510 -1 3 4 64.99 1.68 1.4350 -2 7 1 65.22 2.83 1.4305 2 7 1 65.70 3.02 1.4211 -2 5 3 65.90 1.47 1.4174 -3 6 1 66.19 1.38 1.4118 3 6 1 67.61 2.26 1.3856 4 -3 2 67.81 2.48 1.3821 4 3 2 68.55 1.02 1.3689 -1 8 1 68.68 2.87 1.3666 1 8 1 70.30 1.15 1.3391 -2 7 2 71.19 1.13 1.3245 -4 5 1 71.45 9.56 1.3203 4 0 3 71.50 2.34 1.3194 4 5 1 71.82 10.41 1.3144 -2 6 3 71.96 2.34 1.3121 4 -1 3 72.01 8.51 1.3114 2 6 3 73.74 2.28 1.2849 -1 8 2 74.18 1.96 1.2783 5 -2 1 75.14 1.70 1.2643 -5 3 0 75.37 2.18 1.2610 5 3 0 75.41 2.41 1.2604 -4 6 0 75.79 1.32 1.2552 4 6 0 76.10 2.65 1.2508 -1 9 0 76.24 1.09 1.2488 1 9 0 76.30 1.89 1.2480 -4 5 2 77.07 2.71 1.2375 3 -3 4 77.07 1.62 1.2374 -1 2 5 77.10 1.21 1.2370 1 2 5 77.18 1.08 1.2360 5 0 2 77.21 2.68 1.2356 3 3 4 77.48 2.62 1.2319 0 6 4 78.19 1.69 1.2225 0 3 5 79.01 1.26 1.2119 2 7 3 79.38 1.17 1.2071 5 2 2 79.63 4.60 1.2040 2 0 5 79.72 4.34 1.2029 -1 3 5 79.76 4.71 1.2023 1 3 5 80.14 1.40 1.1976 2 -1 5 80.17 1.25 1.1972 2 1 5 80.80 1.25 1.1894 5 4 1 82.23 1.33 1.1723 1 8 3 83.45 1.43 1.1583 1 4 5 83.92 1.13 1.1530 -4 7 1 84.90 1.21 1.1422 4 5 3 86.01 1.89 1.1303 -3 8 2 86.37 1.53 1.1265 3 8 2 87.29 1.09 1.1170 3 0 5 87.48 4.33 1.1150 6 0 0 88.28 4.25 1.1070 -3 9 0 88.68 4.09 1.1030 3 9 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.