Cornetite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R040163 Eby R K, Hawthorne F C Mineralogy and Petrology 40 (1989) 127-136 Cornetite: modulated densely-packed Cu2+ oxysalt Locality: Mine de L'Etoile, Katanga, Zaire CELL PARAMETERS: 10.8510 14.0750 7.0980 90.000 90.000 90.000 SPACE GROUP: Pbca ATOM X Y Z OCCUPANCY ISO(B) Cu 0.01900 0.12739 0.18760 1.000 1.000 Cu 0.19409 0.24645 0.40293 1.000 1.008 Cu 0.10041 0.45217 0.10920 1.000 0.955 P 0.38000 0.38640 0.20700 1.000 0.900 O 0.26900 0.41010 0.08570 1.000 1.282 O 0.92110 0.47260 0.17540 1.000 1.053 O 0.48960 0.35960 0.08120 1.000 1.271 O 0.34990 0.30340 0.34150 1.000 1.171 OH 0.05640 0.33900 0.95510 1.000 0.842 OH 0.18220 0.18760 0.14700 1.000 0.997 OH 0.13430 0.56790 0.24500 1.000 1.045 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 14.03560305 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.58 2.47 7.0375 0 2 0 16.20 25.42 5.4726 1 1 1 16.34 20.31 5.4255 2 0 0 17.52 41.35 5.0624 2 1 0 19.56 27.01 4.5392 1 2 1 20.67 68.75 4.2968 2 2 0 24.17 47.76 3.6818 1 3 1 24.21 37.60 3.6758 2 2 1 25.09 8.87 3.5490 0 0 2 25.09 8.98 3.5488 2 3 0 25.31 3.40 3.5187 0 4 0 27.19 4.32 3.2803 1 1 2 28.11 67.30 3.1742 2 3 1 28.16 6.09 3.1689 0 2 2 28.31 19.06 3.1526 0 4 1 28.41 10.58 3.1414 3 1 1 29.36 100.00 3.0418 1 2 2 29.51 23.49 3.0274 1 4 1 30.09 12.27 2.9700 2 0 2 30.27 72.18 2.9522 2 4 0 30.51 6.32 2.9301 3 2 1 30.77 19.96 2.9060 2 1 2 32.70 46.83 2.7388 1 3 2 33.65 2.92 2.6637 4 1 0 35.28 12.45 2.5438 1 5 1 35.43 22.94 2.5332 3 0 2 35.46 14.12 2.5312 4 2 0 35.78 3.92 2.5095 2 3 2 35.94 16.68 2.4988 0 4 2 35.94 16.47 2.4987 2 5 0 36.02 15.64 2.4932 3 1 2 36.91 34.00 2.4350 1 4 2 37.73 40.73 2.3841 4 2 1 37.74 1.07 2.3835 3 2 2 37.86 3.32 2.3766 3 4 1 38.33 37.34 2.3484 4 3 0 38.37 5.86 2.3458 0 6 0 39.50 1.96 2.2811 1 1 3 39.71 1.67 2.2696 2 4 2 40.21 9.12 2.2426 0 2 3 40.47 1.97 2.2291 3 3 2 40.50 11.45 2.2273 0 6 1 41.79 2.33 2.1613 1 5 2 41.96 13.35 2.1532 2 6 0 42.06 9.58 2.1484 4 4 0 42.16 10.02 2.1435 2 1 3 42.43 1.99 2.1304 4 1 2 43.65 27.14 2.0736 1 3 3 43.67 3.22 2.0726 2 2 3 43.94 22.56 2.0605 2 6 1 44.05 2.22 2.0559 3 4 2 44.11 23.10 2.0532 5 1 1 44.34 4.59 2.0431 2 5 2 46.11 3.63 1.9686 2 3 3 46.24 10.49 1.9634 0 4 3 46.31 5.00 1.9607 3 1 3 46.36 1.30 1.9585 4 3 2 46.49 5.10 1.9534 4 5 0 47.03 4.87 1.9320 1 4 3 47.19 2.88 1.9259 1 6 2 47.75 6.02 1.9046 1 7 1 47.97 4.14 1.8966 3 6 1 48.33 3.16 1.8833 4 5 1 48.33 1.02 1.8830 3 5 2 49.21 1.28 1.8515 5 0 2 49.51 2.27 1.8409 2 6 2 49.67 5.09 1.8357 5 1 2 50.00 2.70 1.8242 3 3 3 50.06 4.33 1.8222 2 7 1 50.91 14.55 1.7938 6 1 0 51.13 8.49 1.7865 1 5 3 51.50 7.14 1.7745 0 0 4 51.67 4.88 1.7689 4 1 3 51.98 2.66 1.7594 0 8 0 52.22 12.01 1.7516 6 2 0 52.24 1.28 1.7512 1 0 4 52.63 5.50 1.7391 6 1 1 52.67 10.43 1.7378 1 1 4 52.98 1.31 1.7285 4 2 3 53.02 7.70 1.7271 1 7 2 53.07 1.81 1.7256 3 4 3 53.18 1.26 1.7222 5 3 2 53.21 2.15 1.7214 4 6 1 53.22 5.15 1.7212 3 6 2 53.91 10.33 1.7006 6 2 1 53.95 6.37 1.6994 1 2 4 54.37 1.42 1.6875 6 3 0 54.82 5.80 1.6746 2 1 4 56.07 5.94 1.6401 2 2 4 57.01 3.53 1.6154 4 7 0 57.17 1.04 1.6113 6 0 2 57.28 1.08 1.6085 6 4 0 57.98 2.80 1.5905 4 4 3 58.04 5.80 1.5891 5 1 3 58.12 1.59 1.5871 2 3 4 58.23 4.97 1.5844 0 4 4 58.61 4.23 1.5751 4 7 1 58.62 22.21 1.5749 3 7 2 58.87 2.93 1.5687 6 4 1 59.23 7.51 1.5599 1 8 2 59.25 2.41 1.5595 5 2 3 59.78 32.51 1.5469 5 5 2 59.90 3.14 1.5442 3 8 1 60.78 7.31 1.5240 6 3 2 61.08 5.58 1.5171 1 7 3 61.23 5.27 1.5137 2 8 2 61.29 4.54 1.5124 1 9 1 61.47 13.39 1.5085 3 3 4 61.59 1.52 1.5058 7 1 1 61.73 3.57 1.5027 2 9 0 62.46 4.14 1.4870 1 5 4 62.76 2.76 1.4806 7 2 1 62.94 2.46 1.4768 4 1 4 62.97 6.36 1.4761 4 8 0 63.25 2.70 1.4702 4 7 2 63.25 7.05 1.4701 2 9 1 63.50 1.95 1.4650 6 4 2 64.09 1.00 1.4530 4 2 4 64.17 8.06 1.4513 3 4 4 64.40 8.24 1.4468 2 5 4 65.28 1.56 1.4294 6 1 3 65.73 3.02 1.4205 7 0 2 65.79 9.97 1.4196 4 6 3 65.98 5.10 1.4158 4 3 4 66.11 2.88 1.4134 7 1 2 66.42 2.82 1.4075 0 10 0 66.79 6.47 1.4006 1 1 5 67.31 2.17 1.3911 7 4 1 67.56 6.81 1.3865 3 5 4 68.65 9.70 1.3672 5 1 4 69.09 1.51 1.3596 7 3 2 69.97 4.96 1.3446 6 7 0 70.36 1.06 1.3380 2 10 1 70.74 2.91 1.3319 8 2 0 70.81 4.93 1.3307 3 9 2 70.84 1.51 1.3302 6 4 3 71.08 2.04 1.3263 8 1 1 71.38 1.97 1.3214 5 6 3 71.64 4.78 1.3173 7 4 2 73.05 2.41 1.2953 1 9 3 73.32 1.32 1.2912 7 1 3 74.39 4.73 1.2752 7 2 3 74.96 1.49 1.2670 8 0 2 75.05 4.70 1.2656 8 4 0 75.37 2.75 1.2611 6 8 0 75.52 1.63 1.2590 1 5 5 76.23 1.48 1.2490 5 9 1 76.40 3.72 1.2466 6 2 4 76.49 1.74 1.2454 2 11 0 76.80 2.56 1.2412 1 8 4 77.02 1.06 1.2382 4 2 5 77.10 1.18 1.2371 3 4 5 77.59 4.23 1.2304 4 10 1 77.60 4.16 1.2303 3 10 2 77.98 2.78 1.2253 6 6 3 78.16 5.01 1.2228 6 3 4 78.23 3.32 1.2219 8 5 0 78.76 3.11 1.2151 7 6 2 78.80 1.06 1.2145 0 6 5 79.39 1.51 1.2070 1 6 5 80.24 1.10 1.1964 1 11 2 80.37 2.31 1.1947 5 9 2 80.39 1.63 1.1945 4 7 4 80.82 1.61 1.1892 3 11 1 81.53 1.06 1.1807 2 10 3 82.31 1.32 1.1714 5 2 5 82.65 1.81 1.1674 7 0 4 82.74 1.83 1.1665 1 9 4 83.28 1.80 1.1602 7 7 2 83.67 1.00 1.1558 2 0 6 83.99 1.14 1.1522 9 3 1 84.07 1.48 1.1514 3 6 5 84.51 3.31 1.1464 2 12 0 84.96 1.01 1.1416 9 0 2 85.58 1.05 1.1348 4 8 4 85.63 2.40 1.1343 5 7 4 86.33 1.61 1.1269 9 2 2 86.87 1.25 1.1213 0 4 6 87.61 1.18 1.1137 0 12 2 88.19 2.47 1.1079 1 12 2 88.71 1.40 1.1027 0 10 4 89.67 2.09 1.0934 3 3 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.