Shattuckite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050133 Evans H T, Mrose M E American Mineralogist 62 (1977) 491-502 The crystal chemistry of the hydrous copper silicates, shattuckite and plancheite Note: sample is from Ajo, Arizona CELL PARAMETERS: 9.8994 19.8450 5.3820 90.000 90.000 90.000 SPACE GROUP: Pcab ATOM X Y Z OCCUPANCY ISO(B) Cu 0.50000 0.00000 0.50000 1.000 0.684 Cu 0.33090 0.02547 0.03970 1.000 0.653 Cu 0.25205 0.28125 0.46765 1.000 0.579 Si 0.54485 0.13502 0.21730 1.000 0.403 Si 0.39742 0.15706 0.72650 1.000 0.397 O 0.50540 0.05540 0.19960 1.000 0.587 O 0.34260 0.08050 0.74390 1.000 0.811 O 0.70760 0.15120 0.22030 1.000 0.503 O 0.49130 0.17350 0.97080 1.000 0.618 O 0.49070 0.16700 0.47770 1.000 0.726 O 0.28360 0.21630 0.71930 1.000 0.534 Oh 0.67790 0.02430 0.64260 1.000 0.576 H 0.71000 0.43500 0.63000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 18 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 11.92538191 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 8.91 20.94 9.9225 0 2 0 17.88 73.91 4.9612 0 4 0 17.92 13.61 4.9497 2 0 0 20.02 100.00 4.4354 1 4 0 20.05 56.31 4.4292 2 2 0 20.81 4.85 4.2685 1 2 1 23.12 2.12 3.8467 1 3 1 24.43 28.64 3.6432 2 0 1 25.42 79.47 3.5040 2 4 0 26.03 7.85 3.4228 1 4 1 26.05 25.68 3.4200 2 2 1 26.96 54.72 3.3075 0 6 0 27.96 13.00 3.1912 2 3 1 28.51 12.50 3.1312 3 2 0 29.38 3.66 3.0400 1 5 1 30.44 49.27 2.9365 2 4 1 32.14 74.87 2.7853 3 1 1 32.56 28.78 2.7500 2 6 0 32.59 21.69 2.7476 3 4 0 33.10 17.72 2.7065 3 2 1 33.29 12.15 2.6910 0 0 2 33.38 27.21 2.6839 2 5 1 34.53 3.15 2.5972 0 2 2 34.65 61.06 2.5888 3 3 1 34.84 3.21 2.5748 1 1 2 35.74 2.15 2.5122 1 2 2 36.03 14.58 2.4926 0 3 2 36.21 2.74 2.4806 0 8 0 36.30 24.36 2.4748 4 0 0 36.73 1.54 2.4471 3 4 1 36.97 5.37 2.4315 1 7 1 37.37 25.36 2.4062 1 8 0 37.45 20.34 2.4013 4 2 0 38.04 87.39 2.3654 0 4 2 38.06 4.69 2.3642 2 0 2 38.34 1.59 2.3476 2 1 2 38.54 9.42 2.3360 3 6 0 39.16 36.01 2.3007 1 4 2 39.17 5.89 2.2998 2 2 2 39.25 33.10 2.2951 3 5 1 40.10 3.29 2.2485 4 0 1 40.31 17.81 2.2374 2 7 1 40.52 1.92 2.2263 2 3 2 40.74 8.32 2.2146 4 4 0 41.16 3.82 2.1929 4 2 1 41.56 7.48 2.1730 1 5 2 42.35 3.24 2.1343 2 4 2 42.46 7.66 2.1289 4 3 1 43.35 5.52 2.0874 0 6 2 44.35 5.28 2.0425 1 6 2 44.39 1.20 2.0409 3 2 2 45.38 3.63 1.9984 1 9 1 45.42 14.97 1.9969 3 7 1 45.76 1.54 1.9828 3 8 0 46.41 6.31 1.9564 4 5 1 46.53 3.93 1.9517 0 7 2 46.68 1.72 1.9458 1 10 0 46.79 10.66 1.9416 5 2 0 47.26 12.32 1.9234 2 6 2 47.28 5.68 1.9225 3 4 2 47.48 3.36 1.9149 1 7 2 48.24 10.43 1.8864 2 9 1 48.99 4.92 1.8595 4 6 1 49.36 1.21 1.8461 3 5 2 49.48 1.39 1.8420 2 10 0 49.83 3.51 1.8299 1 10 1 49.93 5.64 1.8264 5 2 1 50.01 1.19 1.8239 0 8 2 50.07 11.95 1.8216 4 0 2 50.25 3.33 1.8157 2 7 2 50.30 2.67 1.8140 4 1 2 50.91 51.83 1.7937 1 8 2 50.97 10.92 1.7917 4 2 2 51.83 10.00 1.7641 3 6 2 51.90 9.30 1.7617 4 7 1 52.01 1.13 1.7583 1 1 3 52.08 1.12 1.7562 4 3 2 52.51 2.77 1.7427 2 10 1 52.75 4.63 1.7354 3 9 1 53.59 2.69 1.7100 4 4 2 53.74 5.37 1.7056 0 9 2 53.98 5.15 1.6988 5 6 0 54.40 12.24 1.6866 2 0 3 54.43 4.23 1.6856 1 11 1 54.60 2.01 1.6808 1 9 2 54.61 1.57 1.6806 2 1 3 54.63 2.40 1.6799 3 7 2 55.13 2.04 1.6660 4 8 1 55.24 1.90 1.6628 2 2 3 55.71 2.41 1.6499 6 0 0 56.29 1.07 1.6343 2 3 3 56.41 7.36 1.6311 1 12 0 56.55 33.39 1.6276 6 2 0 56.96 7.87 1.6167 2 11 1 57.72 8.94 1.5972 0 10 2 57.76 15.94 1.5963 3 8 2 57.78 1.68 1.5956 4 6 2 58.64 8.95 1.5743 4 9 1 58.77 21.62 1.5712 3 1 3 58.88 8.67 1.5685 2 12 0 59.00 2.15 1.5656 6 4 0 59.34 1.05 1.5573 1 6 3 59.37 3.74 1.5566 3 2 3 59.73 1.94 1.5482 4 10 0 60.37 9.70 1.5332 3 3 3 60.95 1.37 1.5200 2 10 2 61.17 2.09 1.5151 3 9 2 61.74 2.72 1.5025 2 6 3 61.76 1.42 1.5021 3 4 3 61.92 1.03 1.4985 1 7 3 62.41 1.00 1.4879 4 10 1 62.45 5.42 1.4872 5 8 1 62.86 1.73 1.4785 3 12 0 62.95 5.36 1.4764 6 6 0 63.51 6.74 1.4649 3 5 3 64.10 4.00 1.4527 1 13 1 64.26 1.46 1.4495 2 7 3 64.86 9.20 1.4376 3 10 2 64.88 2.27 1.4372 4 2 3 64.91 19.09 1.4365 5 6 2 65.47 1.47 1.4257 3 12 1 65.62 1.28 1.4228 3 6 3 65.72 1.48 1.4209 5 9 1 65.89 2.50 1.4175 0 14 0 66.40 3.75 1.4079 2 13 1 66.44 3.92 1.4071 4 11 1 66.47 1.68 1.4066 6 0 2 66.74 7.75 1.4016 5 10 0 67.10 10.20 1.3949 1 12 2 67.15 4.16 1.3940 4 4 3 67.22 11.57 1.3926 6 2 2 67.37 2.36 1.3899 5 7 2 68.06 3.32 1.3775 3 7 3 68.83 1.34 1.3640 4 5 3 69.19 2.54 1.3578 1 14 1 69.35 14.61 1.3551 2 12 2 69.91 9.33 1.3455 0 0 4 70.10 4.86 1.3424 0 1 4 70.12 2.27 1.3420 4 10 2 70.16 1.02 1.3415 5 8 2 70.26 2.07 1.3397 2 9 3 70.83 1.16 1.3303 3 8 3 70.84 3.42 1.3302 1 1 4 71.11 3.68 1.3258 6 5 2 71.40 2.18 1.3210 2 14 1 72.59 2.31 1.3024 3 14 0 72.72 7.59 1.3003 7 6 0 73.02 1.27 1.2958 3 12 2 73.11 16.62 1.2944 6 6 2 73.11 1.47 1.2944 5 11 1 73.56 2.23 1.2876 1 4 4 73.57 2.73 1.2874 2 2 4 73.90 2.93 1.2824 2 13 2 73.92 1.07 1.2822 3 9 3 74.47 4.29 1.2741 2 3 4 74.47 1.30 1.2741 1 15 1 75.17 1.20 1.2640 7 6 1 75.18 3.15 1.2638 1 5 4 75.24 2.23 1.2630 4 13 1 76.42 1.70 1.2463 0 6 4 76.66 7.74 1.2431 5 10 2 76.73 6.50 1.2420 7 2 2 76.86 2.89 1.2403 0 16 0 77.62 3.80 1.2300 4 14 0 77.62 1.67 1.2300 7 3 2 77.73 1.35 1.2286 7 8 0 77.78 1.99 1.2279 8 2 0 78.04 2.46 1.2244 4 12 2 78.11 1.72 1.2236 6 8 2 78.86 1.62 1.2138 7 4 2 79.27 3.24 1.2086 2 6 4 79.28 1.36 1.2084 3 4 4 79.70 8.12 1.2031 2 16 0 80.86 1.39 1.1887 3 5 4 81.41 1.62 1.1821 4 0 4 81.55 1.28 1.1805 2 7 4 81.58 2.73 1.1800 4 1 4 81.62 1.18 1.1795 5 13 1 82.06 2.97 1.1744 1 8 4 82.36 2.57 1.1708 7 6 2 82.60 1.24 1.1680 6 12 0 84.04 1.84 1.1517 7 10 0 84.20 1.66 1.1499 4 4 4 85.02 1.36 1.1409 1 9 4 85.72 1.20 1.1333 1 17 1 85.76 1.08 1.1329 4 5 4 86.58 1.66 1.1243 8 0 2 87.11 1.20 1.1188 2 9 4 87.12 2.99 1.1187 4 14 2 87.23 1.04 1.1176 7 8 2 87.28 2.34 1.1171 8 2 2 88.01 1.19 1.1097 8 7 1 88.05 1.65 1.1093 6 11 2 88.39 1.41 1.1059 5 2 4 88.45 1.71 1.1053 1 14 3 89.16 3.03 1.0983 2 16 2 89.25 3.06 1.0974 5 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.