{\rtf1\ansi\deff0{\fonttbl{\f0\fnil\fcharset0 Courier New;}} {\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\lang1033\f0\fs20 Claudetite\par Diffraction data computed using the structure from the paper listed below, \par along with the cell parameters refined from the powder pattern for R050313\par Frueh A J\par American Mineralogist 36 (1951) 833-850\par The crystal structure of claudetite (monoclinic As2O3)\par \par CELL PARAMETERS: 5.2500 12.8700 4.5400 90.000 93.820 90.000\par SPACE GROUP: P2_1/n \par \par ATOM X Y Z OCCUPANCY ISO(B)\par As 0.25800 0.10200 0.04000 1.000 0.600\par As 0.36300 0.35200 0.00700 1.000 0.600\par O 0.45000 0.22000 0.03000 1.000 1.000\par O 0.62000 0.41000 0.18000 1.000 1.000\par O 0.95000 0.16000 0.13000 1.000 1.000\par \par X-RAY WAVELENGTH: 1.541838\par BOUNDS ON TWO THETA: 5.0 90.0\par LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 11 +/- 4\par MAX. ABS. INTENSITY / VOLUME**2: 28.07885746 \par The INTENSITY cut off value is 1.00\par \par 2-THETA INTENSITY D-SPACING H K L\par 13.76 8.03 6.4350 0 2 0\par 18.29 55.50 4.8518 1 1 0\par 20.79 6.21 4.2730 0 1 1\par 21.88 12.35 4.0625 1 2 0\par 24.02 2.66 3.7042 0 2 1\par 25.12 20.78 3.5453 -1 0 1\par 26.07 100.00 3.4180 -1 1 1\par 26.86 32.98 3.3190 1 3 0\par 26.86 28.48 3.3188 1 0 1\par 27.73 96.29 3.2175 0 4 0\par 27.76 79.88 3.2137 1 1 1\par 28.66 6.54 3.1149 0 3 1\par 28.75 4.43 3.1052 -1 2 1\par 30.30 3.20 2.9496 1 2 1\par 32.66 44.54 2.7416 1 4 0\par 32.77 50.64 2.7329 -1 3 1\par 34.16 29.47 2.6250 1 3 1\par 34.24 10.31 2.6192 2 0 0\par 34.96 29.49 2.5666 2 1 0\par 37.06 5.75 2.4259 2 2 0\par 37.76 2.04 2.3826 -1 4 1\par 38.99 1.22 2.3102 1 5 0\par 38.99 6.20 2.3101 1 4 1\par 39.20 14.41 2.2983 -2 1 1\par 39.80 39.89 2.2650 0 0 2\par 40.30 7.98 2.2379 0 5 1\par 40.44 9.71 2.2307 0 1 2\par 41.11 12.07 2.1957 -2 2 1\par 41.56 3.07 2.1730 2 1 1\par 42.30 1.17 2.1365 0 2 2\par 43.02 7.08 2.1027 -1 1 2\par 43.39 4.87 2.0857 2 2 1\par 43.45 5.99 2.0829 -1 5 1\par 44.55 13.04 2.0340 1 5 1\par 44.61 14.34 2.0312 2 4 0\par 45.27 5.18 2.0029 0 3 2\par 46.93 1.43 1.9362 1 2 2\par 47.64 3.84 1.9087 -1 3 2\par 49.20 21.02 1.8521 0 4 2\par 49.66 13.07 1.8359 2 5 0\par 49.68 1.08 1.8352 -1 6 1\par 49.68 1.90 1.8351 1 3 2\par 50.16 6.37 1.8187 2 4 1\par 51.43 7.08 1.7768 -1 4 2\par 51.56 5.33 1.7726 -2 0 2\par 52.08 7.26 1.7561 -2 1 2\par 52.77 6.49 1.7348 1 7 0\par 52.92 1.79 1.7303 3 1 0\par 52.93 13.76 1.7298 -2 5 1\par 53.36 4.79 1.7170 1 4 2\par 53.81 12.68 1.7036 0 7 1\par 54.45 16.33 1.6852 3 2 0\par 54.83 7.48 1.6744 2 5 1\par 55.09 1.37 1.6670 -3 0 1\par 55.36 3.92 1.6595 2 6 0\par 55.37 2.28 1.6594 2 0 2\par 55.86 9.36 1.6458 2 1 2\par 56.02 2.78 1.6416 -1 5 2\par 56.37 6.64 1.6321 -1 7 1\par 56.94 3.60 1.6173 3 3 0\par 57.27 1.98 1.6087 0 8 0\par 57.29 2.50 1.6083 1 7 1\par 57.34 1.51 1.6068 2 2 2\par 57.84 1.79 1.5941 1 5 2\par 57.85 6.83 1.5940 3 0 1\par 58.41 4.04 1.5799 -2 6 1\par 59.49 6.91 1.5538 -3 3 1\par 59.54 6.43 1.5526 -2 4 2\par 59.75 5.14 1.5476 2 3 2\par 60.17 19.62 1.5379 1 8 0\par 60.19 1.32 1.5374 2 6 1\par 62.12 2.80 1.4942 3 3 1\par 62.78 2.06 1.4801 -3 4 1\par 63.03 3.97 1.4748 2 4 2\par 63.26 2.39 1.4700 0 2 3\par 63.37 7.68 1.4677 -1 1 3\par 63.75 4.41 1.4599 -2 5 2\par 64.74 1.43 1.4399 -1 2 3\par 65.33 7.60 1.4283 3 4 1\par 65.46 5.87 1.4258 1 0 3\par 65.54 2.25 1.4243 0 3 3\par 65.71 2.53 1.4210 -3 1 2\par 65.91 5.23 1.4172 1 1 3\par 67.00 3.92 1.3968 -1 3 3\par 67.06 7.61 1.3957 -3 2 2\par 67.11 3.04 1.3947 2 5 2\par 67.25 1.18 1.3922 -1 7 2\par 67.95 1.45 1.3795 1 9 0\par 68.85 7.06 1.3637 0 9 1\par 68.90 4.53 1.3628 1 7 2\par 69.27 4.37 1.3564 -3 3 2\par 69.40 4.44 1.3542 3 6 0\par 69.47 4.11 1.3531 1 3 3\par 71.16 2.07 1.3249 -2 8 1\par 71.53 8.30 1.3190 -2 2 3\par 71.71 2.14 1.3162 -3 6 1\par 71.94 1.67 1.3125 2 6 2\par 71.96 6.06 1.3122 3 2 2\par 72.00 2.01 1.3116 0 8 2\par 72.51 4.06 1.3036 1 4 3\par 72.59 1.73 1.3024 0 5 3\par 72.77 6.09 1.2996 2 8 1\par 73.80 8.28 1.2840 -1 8 2\par 73.98 1.68 1.2813 -1 5 3\par 74.42 5.53 1.2747 -4 1 1\par 75.02 1.23 1.2661 3 7 0\par 75.38 4.73 1.2609 1 8 2\par 75.70 1.23 1.2564 -4 2 1\par 75.79 2.60 1.2551 2 9 0\par 76.35 1.78 1.2473 1 5 3\par 77.25 2.89 1.2349 -3 7 1\par 77.58 5.44 1.2306 4 1 1\par 77.81 3.57 1.2275 -4 3 1\par 78.41 2.16 1.2196 -2 9 1\par 78.64 3.12 1.2167 -1 6 3\par 79.60 2.24 1.2044 3 7 1\par 79.97 1.63 1.1997 2 9 1\par 80.44 1.26 1.1939 -2 5 3\par 80.78 2.51 1.1897 -3 6 2\par 80.93 4.43 1.1879 4 3 1\par 81.34 2.05 1.1829 2 4 3\par 82.51 2.30 1.1691 1 9 2\par 82.70 4.29 1.1669 0 7 3\par 83.74 1.64 1.1551 2 10 0\par 84.47 2.48 1.1469 -4 5 1\par 85.00 2.69 1.1411 -2 6 3\par 85.07 1.21 1.1404 2 5 3\par 85.41 1.91 1.1367 3 6 2\par 85.77 2.94 1.1328 0 11 1\par 85.80 2.09 1.1325 0 0 4\par 86.17 1.69 1.1286 -3 7 2\par 87.17 1.18 1.1182 -1 1 4\par 87.22 3.31 1.1177 4 6 0\par 87.54 1.64 1.1144 4 5 1\par 87.68 1.78 1.1130 -2 9 2\par 88.35 1.63 1.1063 3 0 3\par 88.89 1.06 1.1010 0 8 3\par ================================================================================\par XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs\par For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.\par \par }