Perroudite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070484 Mumme W G, Nickel E H American Mineralogist 72 (1987) 1257-1262 Crystal structure and crystal chemistry of perroudite: A mineral from Coppin Pool, Western Australia CELL PARAMETERS: 17.4270 12.2230 4.2650 90.000 90.000 90.000 SPACE GROUP: P2_12_12 ATOM X Y Z OCCUPANCY ISO(B) Hg 0.00000 0.00000 0.33990 0.500 1.824 Hg 0.15890 0.17430 0.37760 1.000 1.777 Hg 0.09310 0.42300 0.99880 0.800 1.540 Ag 0.09310 0.42300 0.99880 0.200 1.540 Ag 0.31120 0.39670 0.13280 1.000 3.364 Ag 0.42130 0.18530 0.42290 1.000 5.251 S 0.00000 0.50000 0.64410 0.500 1.532 S 0.13040 -0.01730 0.32290 0.900 1.161 Cl 0.13040 -0.01730 0.32290 0.100 1.161 S 0.17870 0.36580 0.37930 0.900 1.208 Cl 0.17870 0.36580 0.37930 0.100 1.208 Cl 0.01800 0.18970 0.85990 0.800 1.903 Br 0.01800 0.18970 0.85990 0.200 1.903 Br 0.31350 0.16940 0.87810 0.200 1.721 I 0.31350 0.16940 0.87810 0.800 1.721 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 11 +/- 3 MAX. ABS. INTENSITY / VOLUME**2: 68.68630348 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.84 9.38 10.0070 1 1 0 10.15 2.62 8.7135 2 0 0 12.48 9.02 7.0952 2 1 0 14.49 4.51 6.1115 0 2 0 15.36 4.13 5.7671 1 2 0 16.90 2.31 5.2466 3 1 0 17.73 11.27 5.0035 2 2 0 20.38 27.62 4.3568 4 0 0 20.83 1.57 4.2650 0 0 1 21.45 3.15 4.1427 1 0 1 22.66 49.15 3.9235 1 1 1 24.11 6.79 3.6908 2 3 0 24.35 16.85 3.6554 2 1 1 25.47 13.76 3.4975 0 2 1 25.92 18.56 3.4379 3 0 1 25.98 36.66 3.4291 1 2 1 26.59 33.11 3.3518 5 1 0 26.73 3.19 3.3357 3 3 0 26.94 6.55 3.3095 3 1 1 27.48 18.99 3.2458 2 2 1 29.23 9.16 3.0557 0 4 0 29.50 3.83 3.0276 5 2 0 29.68 75.50 3.0098 1 4 0 29.82 59.16 2.9963 3 2 1 30.03 22.15 2.9758 4 3 0 30.22 100.00 2.9572 4 1 1 30.34 1.14 2.9461 0 3 1 30.78 4.19 2.9049 1 3 1 30.78 7.09 2.9045 6 0 0 31.01 10.25 2.8836 2 4 0 31.66 9.08 2.8258 6 1 0 32.07 7.03 2.7909 2 3 1 32.84 51.56 2.7274 4 2 1 33.12 17.91 2.7044 3 4 0 33.20 1.78 2.6988 5 0 1 34.02 14.76 2.6354 5 1 1 34.12 23.38 2.6275 3 3 1 34.18 4.14 2.6233 6 2 0 35.90 3.31 2.5017 4 4 0 36.16 3.50 2.4840 0 4 1 36.39 2.10 2.4688 5 2 1 36.54 1.27 2.4591 1 4 1 36.83 18.29 2.4405 4 3 1 36.84 13.54 2.4395 7 1 0 37.14 4.75 2.4209 1 5 0 37.46 4.24 2.4007 6 0 1 37.65 4.17 2.3888 2 4 1 38.05 2.20 2.3651 6 3 0 38.21 1.03 2.3557 6 1 1 39.07 6.61 2.3056 7 2 0 39.21 2.73 2.2977 5 4 0 39.45 1.13 2.2839 3 4 1 40.07 4.57 2.2500 5 3 1 40.37 6.38 2.2345 6 2 1 41.45 3.44 2.1784 8 0 0 41.86 8.74 2.1579 4 4 1 42.02 4.66 2.1501 7 0 1 42.14 4.68 2.1446 8 1 0 42.39 2.21 2.1325 0 0 2 42.40 2.95 2.1319 4 5 0 42.56 5.02 2.1244 7 3 0 42.63 5.69 2.1209 0 5 1 42.72 2.70 2.1167 1 0 2 42.96 2.36 2.1054 1 5 1 43.06 12.74 2.1008 0 1 2 43.39 22.40 2.0857 1 1 2 43.77 5.65 2.0683 6 3 1 43.94 14.47 2.0607 2 5 1 44.14 2.85 2.0519 8 2 0 44.47 3.19 2.0372 0 6 0 44.68 2.54 2.0282 7 2 1 44.79 2.11 2.0234 1 6 0 44.80 1.84 2.0228 5 4 1 45.30 2.70 2.0019 3 0 2 45.31 1.36 2.0014 5 5 0 45.53 9.12 1.9923 3 5 1 45.94 1.61 1.9756 3 1 2 47.08 1.13 1.9301 7 4 0 47.32 4.88 1.9210 8 3 0 47.45 15.43 1.9160 8 1 1 47.47 2.33 1.9154 4 0 2 47.69 3.57 1.9070 4 5 1 47.81 2.51 1.9024 3 2 2 47.83 3.68 1.9015 7 3 1 48.16 10.04 1.8894 0 3 2 48.46 2.13 1.8783 1 3 2 49.28 2.66 1.8491 8 2 1 49.36 9.25 1.8464 2 3 2 49.37 2.44 1.8459 9 2 0 49.59 10.45 1.8382 0 6 1 49.88 2.82 1.8281 1 6 1 49.90 1.06 1.8277 4 2 2 50.15 2.21 1.8190 5 0 2 50.36 15.79 1.8118 5 5 1 50.74 6.23 1.7992 5 1 2 51.52 4.47 1.7738 8 4 0 52.19 9.96 1.7526 3 6 1 52.22 3.01 1.7516 8 3 1 52.46 3.87 1.7443 7 5 0 52.51 1.73 1.7427 10 0 0 52.60 1.61 1.7400 1 4 2 52.68 2.28 1.7374 1 7 0 52.81 4.91 1.7334 4 3 2 53.29 3.54 1.7189 6 0 2 53.44 1.33 1.7146 2 4 2 53.50 1.59 1.7129 6 5 1 53.86 4.96 1.7022 6 1 2 54.14 4.41 1.6940 9 2 1 54.15 6.04 1.6937 4 6 1 54.77 2.00 1.6759 10 2 0 54.82 6.77 1.6745 3 4 2 55.06 9.31 1.6678 6 6 0 55.54 4.14 1.6547 6 2 2 56.16 1.95 1.6378 8 4 1 56.24 2.53 1.6356 9 4 0 56.59 4.64 1.6264 8 5 0 56.61 3.31 1.6260 5 6 1 56.72 1.55 1.6229 4 4 2 56.80 1.94 1.6208 4 7 0 56.85 4.10 1.6196 7 0 2 56.90 3.32 1.6181 9 3 1 57.05 3.19 1.6145 7 5 1 57.09 5.77 1.6132 10 0 1 57.34 4.00 1.6070 0 5 2 57.39 3.85 1.6055 7 1 2 57.60 5.63 1.6002 1 5 2 57.63 1.35 1.5994 10 1 1 58.05 1.41 1.5889 2 7 1 58.26 3.22 1.5838 6 3 2 58.39 2.00 1.5803 2 5 2 58.55 1.45 1.5766 7 6 0 58.77 1.25 1.5711 11 1 0 59.00 2.43 1.5655 7 2 2 59.18 2.48 1.5612 5 7 0 59.24 1.42 1.5598 10 2 1 60.36 1.58 1.5336 11 2 0 60.61 2.02 1.5279 0 8 0 60.64 4.52 1.5272 9 4 1 60.86 3.29 1.5220 1 8 0 61.17 1.62 1.5151 4 7 1 61.50 1.03 1.5077 4 5 2 61.86 3.84 1.4999 10 3 1 62.84 1.10 1.4788 7 6 1 62.85 2.65 1.4786 8 2 2 63.06 3.23 1.4743 11 1 1 63.45 3.13 1.4660 5 7 1 63.78 2.81 1.4593 5 5 2 64.13 2.73 1.4523 12 0 0 64.58 1.12 1.4431 11 2 1 64.65 1.49 1.4418 4 8 0 65.19 1.33 1.4310 7 4 2 65.25 2.15 1.4300 9 5 1 65.38 5.21 1.4273 8 3 2 65.42 2.22 1.4266 10 4 1 66.50 1.64 1.4061 6 5 2 67.03 2.53 1.3962 3 8 1 67.07 1.45 1.3954 4 6 2 67.15 3.93 1.3940 2 1 3 67.87 1.15 1.3809 3 0 3 68.63 1.84 1.3675 2 2 3 68.85 2.88 1.3637 8 4 2 68.92 1.96 1.3625 8 7 0 69.56 1.14 1.3515 4 0 3 69.64 2.06 1.3501 7 5 2 69.83 5.93 1.3470 1 7 2 69.83 2.23 1.3470 3 2 3 69.86 1.11 1.3465 10 5 1 70.04 1.15 1.3433 4 1 3 70.17 1.16 1.3412 12 2 1 70.50 2.91 1.3357 11 4 1 71.06 1.59 1.3266 2 3 3 71.20 1.05 1.3243 10 6 0 71.49 2.19 1.3196 4 2 3 72.18 1.36 1.3088 5 1 3 72.24 1.88 1.3078 3 3 3 72.88 1.04 1.2978 8 7 1 72.88 2.06 1.2978 9 4 2 74.90 3.50 1.2678 7 6 2 75.10 2.18 1.2649 11 1 2 75.23 2.89 1.2631 3 9 1 75.47 2.45 1.2597 5 7 2 75.56 1.79 1.2584 3 4 3 76.84 2.27 1.2405 4 9 1 77.00 2.08 1.2384 14 1 0 77.17 1.77 1.2360 4 4 3 77.75 1.36 1.2283 7 1 3 77.80 1.64 1.2276 13 4 0 77.93 1.91 1.2259 1 5 3 79.76 1.59 1.2023 3 5 3 80.97 2.90 1.1874 7 7 2 81.35 1.83 1.1828 4 5 3 81.77 1.60 1.1778 12 2 2 83.77 1.99 1.1547 9 8 1 84.04 1.93 1.1517 3 10 1 84.06 1.07 1.1514 12 3 2 84.49 1.09 1.1466 14 3 1 84.82 1.63 1.1430 3 6 3 85.14 1.99 1.1395 12 6 1 85.91 1.61 1.1313 11 7 1 87.72 1.26 1.1126 8 9 1 88.05 1.57 1.1093 10 8 1 88.73 1.29 1.1026 15 2 1 88.96 1.19 1.1003 1 7 3 89.28 1.63 1.0972 7 10 0 89.28 1.16 1.0972 10 1 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.