Yvonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the single crystal data of R100010 Sarp H, Cerny R American Mineralogist 83 (1998) 383-389 Description and crystal structure of yvonite, Cu(AsO3OH)2H2O AMCSD#0001976 CELL PARAMETERS: 7.6630 11.2030 6.0500 89.320 86.550 74.430 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.11410 0.80340 0.21450 1.000 0.979 Cu 0.08650 0.66310 0.72430 1.000 0.990 As 0.16630 0.07300 0.14640 1.000 0.783 As 0.15790 0.36760 0.67520 1.000 0.729 OH 0.34800 0.13770 0.10200 1.000 0.929 Wa 0.70900 0.28700 0.14700 1.000 0.764 Wa 0.37500 0.45190 0.15900 1.000 0.999 O 0.00300 0.66860 0.16100 1.000 0.952 O 0.24700 0.92710 0.24200 1.000 0.853 O 0.01700 0.16080 0.33500 1.000 0.995 Wa 0.63300 0.08440 0.34600 1.000 1.395 Wa 0.31600 0.68040 0.35500 1.000 1.269 O 0.11300 0.38040 0.40400 1.000 1.012 OH 0.36200 0.24570 0.69000 1.000 1.340 O 0.21900 0.49080 0.76600 1.000 0.841 O 0.09400 0.07470 0.88900 1.000 1.244 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 9 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 35.09753836 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.01 100.00 7.3689 1 0 0 14.67 1.13 6.0390 0 0 1 16.43 3.12 5.3959 0 2 0 16.79 3.17 5.2800 0 -1 1 16.86 14.29 5.2600 0 1 1 17.58 1.82 5.0462 1 2 0 18.86 1.76 4.7059 1 1 1 19.89 24.59 4.4632 -1 -1 1 21.47 4.18 4.1390 1 -1 1 22.04 3.30 4.0326 0 -2 1 22.49 23.65 3.9540 -1 1 1 22.55 3.37 3.9434 1 2 1 22.89 2.00 3.8851 -1 2 0 23.38 1.87 3.8048 -1 -2 1 24.16 2.27 3.6844 2 0 0 24.45 2.71 3.6404 1 3 0 24.75 4.38 3.5973 0 3 0 26.90 15.07 3.3150 2 1 1 27.73 6.92 3.2174 -1 2 1 28.42 13.63 3.1410 -2 -1 1 28.95 6.60 3.0845 0 3 1 28.95 8.40 3.0842 -1 -3 1 29.58 23.13 3.0195 0 0 2 29.69 10.69 3.0087 2 3 0 30.11 6.37 2.9683 -2 -2 1 30.44 13.28 2.9370 -1 3 0 30.67 12.25 2.9147 2 -1 1 30.71 1.90 2.9112 0 -1 2 31.34 18.65 2.8539 1 0 2 32.10 1.43 2.7884 -2 1 1 32.13 3.00 2.7862 1 4 0 32.66 5.50 2.7422 2 3 1 33.21 4.52 2.6979 0 4 0 33.57 5.41 2.6699 1 -3 1 33.87 1.78 2.6463 -2 -3 1 34.09 2.28 2.6300 0 2 2 34.63 5.89 2.5905 -1 1 2 35.19 1.64 2.5505 -1 -2 2 35.23 4.00 2.5472 1 4 1 35.58 6.55 2.5231 2 4 0 35.73 1.71 2.5130 -1 -4 1 36.41 4.56 2.4674 0 -4 1 36.58 1.23 2.4563 3 0 0 36.84 1.35 2.4397 -2 2 1 37.37 1.01 2.4063 2 0 2 37.48 3.32 2.3996 3 1 1 38.15 4.36 2.3588 2 4 1 38.38 2.36 2.3453 -1 2 2 38.44 1.26 2.3420 3 3 0 38.49 1.47 2.3390 -1 4 0 39.03 1.65 2.3077 0 3 2 39.14 4.44 2.3014 -2 -1 2 39.42 3.14 2.2857 -2 3 0 39.70 1.84 2.2705 -2 0 2 39.78 1.00 2.2660 -3 -2 1 40.56 2.93 2.2240 3 3 1 41.07 2.66 2.1980 1 -4 1 41.70 3.23 2.1662 2 -3 1 42.02 3.98 2.1500 -2 1 2 42.12 2.23 2.1452 -3 -3 1 42.86 1.96 2.1102 -2 3 1 43.39 1.58 2.0853 -2 -3 2 43.41 2.05 2.0847 -3 1 1 43.57 1.75 2.0773 -1 3 2 43.74 1.08 2.0695 2 -2 2 44.96 1.42 2.0163 0 -4 2 45.90 2.16 1.9773 0 1 3 46.03 3.24 1.9717 2 4 2 46.76 2.04 1.9425 -2 4 0 47.66 2.65 1.9083 -1 -1 3 47.81 1.66 1.9026 4 1 0 47.86 1.79 1.9005 3 3 2 48.08 1.73 1.8924 3 5 0 48.10 1.57 1.8917 -3 -1 2 48.33 1.83 1.8833 0 2 3 48.70 2.55 1.8697 1 -4 2 49.03 3.14 1.8581 2 -3 2 49.18 1.64 1.8525 -3 0 2 49.35 1.65 1.8468 -1 -2 3 49.48 3.38 1.8422 4 0 0 49.80 1.72 1.8309 -2 4 1 50.68 3.38 1.8013 4 3 1 51.95 1.93 1.7602 3 -3 1 51.96 1.05 1.7600 0 -3 3 52.07 2.83 1.7565 4 4 0 52.12 1.29 1.7548 2 6 1 52.49 1.55 1.7435 -1 -3 3 52.59 1.35 1.7402 -4 1 0 53.06 1.85 1.7259 0 -6 1 55.24 1.09 1.6629 -4 -4 1 55.80 1.08 1.6475 -4 1 1 55.87 1.05 1.6456 1 4 3 56.53 2.36 1.6279 3 1 3 56.95 1.44 1.6168 0 -4 3 57.00 2.34 1.6157 4 0 2 57.49 1.55 1.6029 -2 5 1 57.52 2.67 1.6022 2 4 3 58.09 1.04 1.5878 3 -3 2 58.36 1.23 1.5812 2 7 0 58.60 1.27 1.5753 3 -4 1 58.92 1.02 1.5676 -4 -1 2 59.71 1.03 1.5486 3 -1 3 59.94 1.06 1.5431 1 -4 3 59.95 1.30 1.5430 -3 4 1 60.01 2.25 1.5417 0 7 0 60.03 1.19 1.5412 2 -3 3 61.88 2.96 1.4994 3 7 0 62.01 1.22 1.4965 1 0 4 62.03 1.13 1.4962 3 4 3 63.64 1.81 1.4622 -5 -2 1 65.05 2.00 1.4339 -1 7 0 65.40 1.48 1.4269 2 0 4 65.93 1.46 1.4167 1 7 2 66.45 1.12 1.4069 1 3 4 67.38 1.33 1.3899 -3 5 1 67.43 1.76 1.3889 -2 -7 2 67.94 1.36 1.3797 3 -3 3 68.03 1.02 1.3781 4 7 0 68.15 1.40 1.3759 -2 -1 4 69.27 1.17 1.3564 5 0 2 77.52 1.43 1.2314 -6 -2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.