Dufrenite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern R070599. Moore P B American Mineralogist 55 (1970) 135-169 Crystal chemistry of the basic iron phosphates CELL PARAMETERS: 25.87541 5.146138 13.83041 90.00000 111.0660 90.00000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 7.30 41.59 12.0730 2 0 0 12.99 20.43 6.7966 -2 0 2 13.69 11.52 6.4530 0 0 2 14.64 3.87 6.0365 4 0 0 17.59 100.00 5.0331 1 1 0 17.73 24.02 4.9936 2 0 2 18.40 28.04 4.8128 -1 1 1 20.27 22.60 4.3735 -3 1 1 20.45 7.04 4.3357 3 1 0 21.38 9.27 4.1495 -6 0 2 21.52 50.15 4.1213 -1 1 2 22.05 14.86 4.0243 6 0 0 22.34 8.55 3.9724 -3 1 2 22.83 3.75 3.8889 3 1 1 23.17 5.80 3.8319 1 1 2 23.48 13.45 3.7820 4 0 2 24.35 17.77 3.6488 -5 1 1 25.25 11.92 3.5215 5 1 0 25.40 2.01 3.5010 -5 1 2 25.85 19.58 3.4409 -2 0 4 26.16 85.04 3.4007 -3 1 3 26.18 30.37 3.3983 -4 0 4 27.60 25.86 3.2265 0 0 4 27.72 41.19 3.2129 -8 0 2 27.91 2.50 3.1915 5 1 1 28.19 79.35 3.1612 -5 1 3 28.24 37.74 3.1555 1 1 3 29.55 15.81 3.0183 8 0 0 29.81 40.78 2.9926 -7 1 1 30.06 8.50 2.9680 -7 1 2 31.14 60.21 2.8680 -3 1 4 31.17 32.40 2.8653 7 1 0 31.76 4.29 2.8138 -1 1 4 31.94 11.97 2.7981 5 1 2 31.97 2.46 2.7952 3 1 3 32.48 7.26 2.7523 -8 0 4 33.97 39.74 2.6356 7 1 1 34.62 2.78 2.5872 -10 0 2 34.82 15.50 2.5731 0 2 0 35.08 1.35 2.5543 -7 1 4 35.53 1.84 2.5234 0 2 1 35.63 3.94 2.5165 2 2 0 35.92 10.99 2.4968 4 0 4 36.09 7.21 2.4850 -9 1 1 36.84 7.48 2.4366 -9 1 3 36.85 3.22 2.4360 2 2 1 36.87 7.39 2.4348 -3 1 5 36.93 20.73 2.4305 5 1 3 37.09 5.81 2.4204 8 0 2 37.32 17.29 2.4064 -2 2 2 37.36 13.50 2.4038 -5 1 5 37.61 2.83 2.3884 -10 0 4 37.58 1.54 2.3901 0 2 2 37.79 11.98 2.3773 3 1 4 39.18 6.27 2.2960 -9 1 4 39.34 7.94 2.2873 2 2 2 39.73 1.56 2.2655 -6 0 6 40.40 5.00 2.2299 1 1 5 40.79 1.23 2.2095 -4 2 3 40.80 1.63 2.2089 -6 2 1 41.61 3.66 2.1678 6 2 0 41.90 4.34 2.1535 -12 0 2 41.95 4.34 2.1510 0 0 6 42.19 3.78 2.1390 -11 1 2 42.44 2.04 2.1274 4 2 2 42.64 4.11 2.1178 -9 1 5 42.66 4.30 2.1167 -11 1 3 42.62 5.50 2.1184 5 1 4 42.77 3.90 2.1116 7 1 3 42.93 30.85 2.1039 -11 1 1 42.92 3.29 2.1046 2 2 3 43.10 5.74 2.0963 -5 1 6 43.60 2.80 2.0733 6 2 1 43.88 20.38 2.0606 -2 2 4 44.09 6.61 2.0514 -4 2 4 44.11 5.66 2.0503 3 1 5 44.31 4.77 2.0419 -11 1 4 44.49 1.31 2.0338 -1 1 6 45.00 4.35 2.0122 12 0 0 45.09 14.26 2.0084 -8 2 2 45.13 1.32 2.0066 -8 2 1 45.35 9.57 1.9973 2 0 6 46.18 1.49 1.9631 -8 2 3 46.25 2.81 1.9604 4 2 3 46.31 3.41 1.9581 8 2 0 46.65 27.16 1.9445 6 2 2 47.12 1.40 1.9265 1 1 6 47.39 7.16 1.9160 2 2 4 48.06 1.20 1.8910 8 0 4 48.37 1.61 1.8796 -8 2 4 48.57 1.04 1.8723 8 2 1 49.36 6.54 1.8440 -5 1 7 49.93 2.47 1.8244 -10 2 2 50.16 4.66 1.8165 -14 0 4 50.15 1.51 1.8168 -7 1 7 50.54 2.49 1.8037 -10 2 3 50.70 4.85 1.7985 -11 1 6 50.85 1.73 1.7936 3 1 6 51.43 1.99 1.7747 -1 1 7 51.65 5.10 1.7676 11 1 2 51.79 3.20 1.7630 8 2 2 51.87 1.49 1.7607 10 2 0 52.12 4.32 1.7527 -9 1 7 52.31 7.44 1.7467 -13 1 5 52.30 9.10 1.7471 13 1 0 52.60 1.08 1.7380 2 2 5 52.95 10.76 1.7271 -6 0 8 53.03 10.92 1.7247 14 0 0 53.18 1.06 1.7204 -4 0 8 53.29 3.04 1.7169 -4 2 6 53.80 1.03 1.7019 -1 3 1 53.85 5.30 1.7004 -6 2 6 53.89 1.52 1.6992 -2 2 6 54.18 1.05 1.6908 1 1 7 54.42 4.22 1.6840 7 1 5 54.57 2.29 1.6799 -3 3 1 54.55 1.88 1.6803 -2 0 8 54.68 2.08 1.6765 9 1 4 54.81 2.08 1.6729 -10 2 5 55.02 1.62 1.6670 10 0 4 55.19 1.57 1.6624 -11 1 7 55.11 5.38 1.6644 -1 3 2 55.49 2.06 1.6542 -3 3 2 55.55 10.75 1.6525 -8 2 6 55.59 11.07 1.6514 -12 2 2 55.63 2.80 1.6503 0 2 6 55.96 1.29 1.6413 -10 0 8 56.07 6.50 1.6383 -5 1 8 56.25 2.00 1.6336 4 2 5 56.31 1.10 1.6320 11 1 3 56.42 3.92 1.6290 -7 1 8 56.55 2.30 1.6255 -15 1 2 56.45 4.53 1.6282 -5 3 1 56.78 3.43 1.6194 -15 1 4 56.97 1.82 1.6144 -5 3 2 57.02 6.40 1.6133 0 0 8 57.29 13.23 1.6064 -16 0 4 57.37 3.21 1.6043 -3 3 3 58.31 8.56 1.5806 -10 2 6 58.46 8.22 1.5769 -5 3 3 58.43 35.43 1.5778 2 2 6 59.07 5.53 1.5622 -12 0 8 59.53 4.93 1.5512 -7 3 2 60.50 1.61 1.5285 2 0 8 60.64 6.83 1.5253 5 3 2 60.66 1.79 1.5249 3 3 3 60.70 1.08 1.5239 9 1 5 60.95 1.81 1.5184 -16 0 6 61.17 3.31 1.5134 8 0 6 61.60 2.51 1.5039 1 1 8 61.65 4.47 1.5027 11 1 4 61.95 8.39 1.4963 -14 2 2 61.90 1.50 1.4973 7 3 1 62.06 9.91 1.4939 -12 2 6 62.52 5.08 1.4840 -14 2 4 62.49 2.62 1.4845 12 0 4 63.07 7.41 1.4724 -9 3 2 63.30 4.64 1.4676 15 1 1 63.28 1.57 1.4680 -9 3 1 63.88 2.37 1.4556 -13 1 8 63.93 2.36 1.4546 -17 1 4 63.85 3.03 1.4561 13 1 3 63.83 1.95 1.4565 5 3 3 64.12 1.70 1.4507 -5 3 5 64.29 2.10 1.4473 12 2 2 64.28 5.88 1.4476 -3 1 9 64.41 1.43 1.4449 3 3 4 65.05 2.94 1.4323 -17 1 5 64.96 1.36 1.4340 -6 2 8 65.37 1.82 1.4260 -9 3 4 65.48 1.51 1.4239 -7 3 5 66.36 2.78 1.4072 -1 1 9 66.79 3.46 1.3991 10 2 4 66.87 2.01 1.3976 6 2 6 67.63 4.38 1.3838 -10 2 8 67.63 2.84 1.3837 11 1 5 68.05 3.27 1.3762 -11 3 1 68.17 3.07 1.3741 -5 3 6 68.19 1.05 1.3738 -3 3 6 68.70 2.75 1.3647 16 0 2 69.22 1.76 1.3558 -13 1 9 69.88 1.18 1.3446 -17 1 7 70.48 3.15 1.3346 14 0 4 71.21 1.07 1.3228 1 3 6 72.97 1.10 1.2951 -5 3 7 73.37 2.51 1.2891 3 1 9 73.54 6.41 1.2865 0 4 0 74.04 2.45 1.2791 -11 3 6 74.02 1.17 1.2793 2 4 0 74.12 1.23 1.2778 -2 4 1 74.16 2.29 1.2773 3 3 6 74.39 2.48 1.2739 9 1 7 74.59 1.15 1.2709 -19 1 1 74.63 1.74 1.2704 -1 3 7 74.77 1.16 1.2683 2 4 1 75.23 1.15 1.2618 -13 1 10 75.20 2.38 1.2622 13 1 5 75.35 2.16 1.2600 -13 3 5 75.73 1.80 1.2547 7 1 8 75.82 1.00 1.2534 4 2 8 76.36 4.15 1.2458 -19 1 7 76.18 2.23 1.2484 8 0 8 77.25 1.38 1.2338 19 1 0 77.93 2.43 1.2246 -17 1 9 78.44 1.21 1.2180 4 4 2 78.61 1.18 1.2157 -8 2 10 78.65 1.17 1.2153 10 2 6 78.89 1.31 1.2122 -15 3 2 79.04 1.70 1.2102 16 0 4 79.40 1.26 1.2056 16 2 2 79.58 2.96 1.2034 -19 1 8 80.31 1.95 1.1942 -20 0 8 80.25 1.10 1.1950 0 4 4 80.30 3.27 1.1943 -8 4 2 81.72 1.14 1.1772 -12 2 10 83.02 1.00 1.1621 -1 1 11 83.78 1.58 1.1534 -21 1 1 84.27 1.39 1.1480 -18 2 8 84.66 3.73 1.1436 -14 2 10 84.66 1.67 1.1436 4 4 4 85.00 1.97 1.1400 -15 1 11 85.66 2.07 1.1328 -3 3 9 88.02 1.68 1.1085 18 2 2 88.29 1.14 1.1058 18 0 4 88.40 1.88 1.1047 9 3 6 88.40 1.88 1.1047 9 3 6 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.