Cornetite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050151 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 14.0520 7.0893 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 WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 12 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 14.09421581 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.59 / 12.62 2.47 / 1.24 7.0260 0 2 0 16.20 / 16.24 25.44 / 12.72 5.4673 1 1 1 16.32 / 16.37 20.38 / 10.19 5.4255 2 0 0 17.51 / 17.55 41.47 / 20.74 5.0613 2 1 0 19.56 / 19.61 27.01 / 13.51 4.5339 1 2 1 20.67 / 20.72 68.87 / 34.43 4.2942 2 2 0 24.19 / 24.25 47.75 / 23.88 3.6768 1 3 1 24.21 / 24.27 37.66 / 18.83 3.6729 2 2 1 25.10 / 25.16 8.99 / 4.49 3.5455 2 3 0 25.10 / 25.17 8.87 / 4.43 3.5447 0 0 2 25.33 / 25.40 3.40 / 1.70 3.5130 0 4 0 27.19 / 27.26 4.32 / 2.16 3.2766 1 1 2 28.12 / 28.19 67.33 / 33.66 3.1710 2 3 1 28.17 / 28.25 6.09 / 3.04 3.1647 0 2 2 28.33 / 28.40 19.04 / 9.52 3.1477 0 4 1 28.40 / 28.47 10.61 / 5.30 3.1404 3 1 1 29.37 / 29.45 100.00 / 50.00 3.0381 1 2 2 29.52 / 29.60 23.47 / 11.73 3.0231 1 4 1 30.09 / 30.17 12.28 / 6.14 2.9675 2 0 2 30.28 / 30.36 72.18 / 36.09 2.9488 2 4 0 30.50 / 30.58 6.33 / 3.17 2.9286 3 2 1 30.77 / 30.85 19.97 / 9.99 2.9034 2 1 2 32.71 / 32.80 46.82 / 23.41 2.7353 1 3 2 33.62 / 33.71 2.93 / 1.46 2.6636 4 1 0 35.31 / 35.40 12.43 / 6.22 2.5400 1 5 1 35.43 / 35.52 22.98 / 11.49 2.5316 3 0 2 35.44 / 35.53 14.16 / 7.08 2.5307 4 2 0 35.79 / 35.88 3.92 / 1.96 2.5067 2 3 2 35.96 / 36.05 16.47 / 8.23 2.4955 2 5 0 35.96 / 36.06 16.67 / 8.34 2.4952 0 4 2 36.02 / 36.11 15.66 / 7.83 2.4915 3 1 2 36.93 / 37.03 33.97 / 16.99 2.4317 1 4 2 37.71 / 37.81 40.83 / 20.42 2.3834 4 2 1 37.74 / 37.84 1.08 / 0.54 2.3817 3 2 2 37.86 / 37.96 3.32 / 1.66 2.3745 3 4 1 38.31 / 38.41 37.42 / 18.71 2.3475 4 3 0 38.40 / 38.50 5.85 / 2.92 2.3420 0 6 0 39.52 / 39.62 1.96 / 0.98 2.2784 1 1 3 39.73 / 39.83 1.67 / 0.84 2.2669 2 4 2 40.23 / 40.33 9.11 / 4.55 2.2398 0 2 3 40.47 / 40.57 1.97 / 0.99 2.2271 3 3 2 40.53 / 40.64 11.43 / 5.72 2.2238 0 6 1 41.82 / 41.93 2.33 / 1.16 2.1582 1 5 2 41.98 / 42.09 13.33 / 6.66 2.1502 2 6 0 42.05 / 42.16 9.59 / 4.80 2.1471 4 4 0 42.17 / 42.28 10.02 / 5.01 2.1412 2 1 3 42.41 / 42.52 2.00 / 1.00 2.1294 4 1 2 43.67 / 43.78 27.11 / 13.56 2.0710 1 3 3 43.69 / 43.80 3.22 / 1.61 2.0703 2 2 3 43.97 / 44.08 22.54 / 11.27 2.0577 2 6 1 44.05 / 44.17 2.22 / 1.11 2.0539 3 4 2 44.08 / 44.19 23.17 / 11.59 2.0529 5 1 1 44.36 / 44.47 4.58 / 2.29 2.0405 2 5 2 46.12 / 46.25 3.63 / 1.81 1.9664 2 3 3 46.26 / 46.39 10.47 / 5.24 1.9608 0 4 3 46.31 / 46.43 5.00 / 2.50 1.9590 3 1 3 46.35 / 46.47 1.30 / 0.65 1.9572 4 3 2 46.49 / 46.61 5.10 / 2.55 1.9518 4 5 0 47.06 / 47.18 4.86 / 2.43 1.9295 1 4 3 47.22 / 47.35 2.88 / 1.44 1.9231 1 6 2 47.79 / 47.92 6.01 / 3.01 1.9016 1 7 1 47.98 / 48.11 4.14 / 2.07 1.8944 3 6 1 48.33 / 48.45 3.16 / 1.58 1.8818 4 5 1 48.35 / 48.48 1.02 / 0.51 1.8810 3 5 2 49.19 / 49.32 1.28 / 0.64 1.8509 5 0 2 49.54 / 49.67 2.26 / 1.13 1.8384 2 6 2 49.64 / 49.77 5.10 / 2.55 1.8350 5 1 2 50.01 / 50.14 2.69 / 1.35 1.8224 3 3 3 50.09 / 50.22 4.32 / 2.16 1.8196 2 7 1 50.86 / 51.00 14.60 / 7.30 1.7937 6 1 0 51.16 / 51.29 8.47 / 4.24 1.7841 1 5 3 51.52 / 51.66 7.13 / 3.57 1.7723 0 0 4 51.67 / 51.80 4.88 / 2.44 1.7677 4 1 3 52.02 / 52.16 2.65 / 1.33 1.7565 0 8 0 52.18 / 52.32 12.04 / 6.02 1.7514 6 2 0 52.26 / 52.40 1.28 / 0.64 1.7491 1 0 4 52.59 / 52.73 5.52 / 2.76 1.7389 6 1 1 52.69 / 52.83 10.42 / 5.21 1.7358 1 1 4 52.97 / 53.11 1.31 / 0.66 1.7272 4 2 3 53.06 / 53.20 7.68 / 3.84 1.7246 1 7 2 53.08 / 53.23 1.81 / 0.90 1.7238 3 4 3 53.17 / 53.31 1.27 / 0.63 1.7213 5 3 2 53.22 / 53.36 2.15 / 1.08 1.7198 4 6 1 53.24 / 53.38 5.15 / 2.57 1.7192 3 6 2 53.88 / 54.02 10.36 / 5.18 1.7003 6 2 1 53.98 / 54.12 6.36 / 3.18 1.6973 1 2 4 54.33 / 54.48 1.42 / 0.71 1.6871 6 3 0 54.84 / 54.99 5.79 / 2.90 1.6727 2 1 4 56.09 / 56.24 5.94 / 2.97 1.6383 2 2 4 57.03 / 57.18 3.53 / 1.76 1.6137 4 7 0 57.13 / 57.29 1.05 / 0.52 1.6109 6 0 2 57.25 / 57.40 1.08 / 0.54 1.6079 6 4 0 57.99 / 58.15 2.80 / 1.40 1.5891 4 4 3 58.03 / 58.18 5.81 / 2.90 1.5882 5 1 3 58.14 / 58.30 1.59 / 0.79 1.5853 2 3 4 58.26 / 58.42 4.96 / 2.48 1.5824 0 4 4 58.62 / 58.78 4.22 / 2.11 1.5734 4 7 1 58.64 / 58.80 22.17 / 11.09 1.5729 3 7 2 58.84 / 59.00 2.93 / 1.47 1.5681 6 4 1 59.24 / 59.40 2.42 / 1.21 1.5586 5 2 3 59.28 / 59.44 7.49 / 3.75 1.5576 1 8 2 59.78 / 59.94 32.53 / 16.27 1.5458 5 5 2 59.93 / 60.09 3.13 / 1.57 1.5422 3 8 1 60.75 / 60.92 7.32 / 3.66 1.5234 6 3 2 61.12 / 61.29 5.57 / 2.79 1.5149 1 7 3 61.27 / 61.44 5.26 / 2.63 1.5115 2 8 2 61.35 / 61.51 4.53 / 2.26 1.5100 1 9 1 61.48 / 61.65 13.38 / 6.69 1.5069 3 3 4 61.54 / 61.71 1.53 / 0.76 1.5056 7 1 1 61.78 / 61.95 3.56 / 1.78 1.5004 2 9 0 62.49 / 62.66 4.13 / 2.06 1.4850 1 5 4 62.71 / 62.88 2.76 / 1.38 1.4804 7 2 1 62.94 / 63.11 2.46 / 1.23 1.4755 4 1 4 62.99 / 63.17 6.35 / 3.17 1.4744 4 8 0 63.27 / 63.44 2.70 / 1.35 1.4686 4 7 2 63.30 / 63.48 7.03 / 3.51 1.4679 2 9 1 63.48 / 63.65 1.95 / 0.98 1.4643 6 4 2 64.09 / 64.27 1.00 / 0.50 1.4517 4 2 4 64.19 / 64.37 8.05 / 4.03 1.4497 3 4 4 64.43 / 64.61 8.23 / 4.11 1.4450 2 5 4 65.25 / 65.43 1.56 / 0.78 1.4287 6 1 3 65.69 / 65.87 3.03 / 1.52 1.4203 7 0 2 65.80 / 65.99 9.96 / 4.98 1.4181 4 6 3 65.99 / 66.18 5.09 / 2.55 1.4145 4 3 4 66.06 / 66.25 2.89 / 1.44 1.4131 7 1 2 66.48 / 66.67 2.81 / 1.40 1.4052 0 10 0 66.82 / 67.01 6.46 / 3.23 1.3989 1 1 5 67.27 / 67.46 2.18 / 1.09 1.3907 7 4 1 67.59 / 67.78 6.81 / 3.40 1.3849 3 5 4 68.64 / 68.83 9.71 / 4.85 1.3662 5 1 4 69.05 / 69.24 1.51 / 0.75 1.3592 7 3 2 69.96 / 70.16 4.96 / 2.48 1.3436 6 7 0 70.42 / 70.62 1.06 / 0.53 1.3359 2 10 1 70.67 / 70.88 2.92 / 1.46 1.3318 8 2 0 70.82 / 71.02 1.51 / 0.75 1.3294 6 4 3 70.85 / 71.05 4.92 / 2.46 1.3289 3 9 2 71.01 / 71.22 2.04 / 1.02 1.3263 8 1 1 71.39 / 71.59 1.97 / 0.99 1.3202 5 6 3 71.61 / 71.81 4.79 / 2.39 1.3167 7 4 2 73.10 / 73.32 2.41 / 1.20 1.2934 1 9 3 73.28 / 73.49 1.32 / 0.66 1.2907 7 1 3 74.36 / 74.57 4.74 / 2.37 1.2746 7 2 3 74.90 / 75.12 1.49 / 0.75 1.2668 8 0 2 75.00 / 75.22 4.71 / 2.36 1.2653 8 4 0 75.37 / 75.59 2.75 / 1.37 1.2600 6 8 0 75.56 / 75.78 1.63 / 0.82 1.2574 1 5 5 76.25 / 76.48 1.47 / 0.74 1.2476 5 9 1 76.39 / 76.61 3.72 / 1.86 1.2458 6 2 4 76.55 / 76.78 1.73 / 0.86 1.2435 2 11 0 76.85 / 77.07 2.56 / 1.28 1.2394 1 8 4 77.03 / 77.26 1.05 / 0.53 1.2369 4 2 5 77.12 / 77.35 1.18 / 0.59 1.2357 3 4 5 77.63 / 77.86 4.22 / 2.11 1.2288 4 10 1 77.65 / 77.88 4.15 / 2.07 1.2286 3 10 2 77.98 / 78.21 2.77 / 1.39 1.2243 6 6 3 78.15 / 78.38 5.01 / 2.50 1.2220 6 3 4 78.19 / 78.42 3.32 / 1.66 1.2215 8 5 0 78.73 / 78.97 3.12 / 1.56 1.2144 7 6 2 78.85 / 79.08 1.06 / 0.53 1.2129 0 6 5 79.44 / 79.68 1.51 / 0.75 1.2054 1 6 5 80.31 / 80.55 1.10 / 0.55 1.1945 1 11 2 80.40 / 80.64 2.30 / 1.15 1.1934 5 9 2 80.42 / 80.66 1.63 / 0.81 1.1932 4 7 4 80.88 / 81.12 1.61 / 0.80 1.1875 3 11 1 81.59 / 81.84 1.06 / 0.53 1.1789 2 10 3 82.32 / 82.56 1.32 / 0.66 1.1704 5 2 5 82.62 / 82.87 1.81 / 0.91 1.1668 7 0 4 82.80 / 83.05 1.83 / 0.91 1.1648 1 9 4 83.27 / 83.52 1.80 / 0.90 1.1594 7 7 2 83.70 / 83.96 1.00 / 0.50 1.1545 2 0 6 83.92 / 84.17 1.14 / 0.57 1.1521 9 3 1 84.11 / 84.36 1.48 / 0.74 1.1500 3 6 5 84.59 / 84.85 3.30 / 1.65 1.1446 2 12 0 84.88 / 85.14 1.01 / 0.50 1.1414 9 0 2 85.62 / 85.89 1.04 / 0.52 1.1335 4 8 4 85.65 / 85.92 2.40 / 1.20 1.1331 5 7 4 86.26 / 86.53 1.62 / 0.81 1.1267 9 2 2 86.91 / 87.18 1.24 / 0.62 1.1199 0 4 6 87.70 / 87.97 1.18 / 0.59 1.1119 0 12 2 88.28 / 88.55 2.46 / 1.23 1.1061 1 12 2 88.78 / 89.06 1.40 / 0.70 1.1011 0 10 4 89.70 / 89.99 2.09 / 1.05 1.0922 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.