Euchroite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050579 Finney J J Acta Crystallographica 21 (1966) 437-440 Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O CELL PARAMETERS: 10.0570 10.5130 6.1074 90.000 90.000 90.000 SPACE GROUP: P2_12_12_1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.24310 0.00820 0.96980 1.000 0.830 Cu 0.19930 0.24880 0.66600 1.000 0.900 As 0.39100 0.23580 0.21720 1.000 0.640 Wa 0.78380 0.08620 0.37100 1.000 0.640 Wa 0.06600 0.31070 0.27900 1.000 1.860 O 0.04610 0.31830 0.82320 1.000 0.220 O 0.30580 0.18600 0.00000 1.000 1.690 O 0.32500 0.16650 0.45840 1.000 1.080 O 0.07130 0.05110 0.22340 1.000 0.620 Wa 0.14450 0.06760 0.71600 1.000 0.580 OH 0.39270 0.38830 0.24850 1.000 0.640 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 9 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 27.45922480 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.18 100.00 7.2672 1 1 0 16.79 3.08 5.2809 0 1 1 16.87 26.78 5.2565 0 2 0 16.98 53.52 5.2202 1 0 1 17.64 45.23 5.0285 2 0 0 19.57 6.82 4.5363 2 1 0 22.91 1.87 3.8820 2 0 1 24.03 39.06 3.7040 1 2 1 24.44 9.30 3.6417 2 1 1 24.50 4.83 3.6336 2 2 0 26.94 6.92 3.3092 1 3 0 27.94 6.01 3.1939 3 1 0 28.59 8.16 3.1227 2 2 1 29.25 9.36 3.0537 0 0 2 30.42 21.20 2.9387 3 0 1 30.48 1.01 2.9325 0 1 2 30.60 8.43 2.9220 1 0 2 31.11 2.17 2.8751 2 3 0 31.61 52.58 2.8302 3 1 1 31.79 14.08 2.8153 1 1 2 33.95 25.95 2.6405 0 2 2 34.11 18.96 2.6282 0 4 0 34.36 13.08 2.6101 2 0 2 34.48 2.29 2.6012 2 3 1 34.98 12.52 2.5651 3 2 1 35.14 13.84 2.5539 1 2 2 35.30 13.16 2.5429 1 4 0 35.44 6.90 2.5332 2 1 2 38.34 6.12 2.3475 1 4 1 38.51 6.61 2.3378 2 2 2 38.66 7.63 2.3293 2 4 0 39.13 1.34 2.3022 0 3 2 39.70 3.05 2.2701 4 1 1 39.74 8.92 2.2681 4 2 0 40.04 8.52 2.2518 3 3 1 40.18 1.50 2.2442 1 3 2 40.89 11.64 2.2072 3 1 2 41.49 2.11 2.1764 2 4 1 42.52 3.68 2.1263 4 2 1 43.22 3.30 2.0933 2 3 2 43.64 4.35 2.0743 3 2 2 43.77 1.65 2.0684 3 4 0 44.00 8.24 2.0581 1 5 0 44.34 4.63 2.0428 4 3 0 45.46 1.02 1.9953 1 0 3 46.31 2.73 1.9603 1 1 3 46.35 7.09 1.9591 3 4 1 46.47 5.86 1.9541 1 4 2 46.57 1.38 1.9503 1 5 1 46.80 11.01 1.9410 4 0 2 46.90 1.00 1.9373 4 3 1 47.64 5.35 1.9087 4 1 2 47.93 7.33 1.8978 3 3 2 48.23 3.60 1.8870 2 0 3 48.82 1.22 1.8655 1 2 3 49.05 6.47 1.8573 2 1 3 49.20 1.78 1.8520 2 4 2 49.29 1.63 1.8488 2 5 1 51.29 2.34 1.7812 3 5 0 51.45 4.41 1.7760 2 2 3 52.45 4.33 1.7445 5 3 0 52.55 1.85 1.7414 4 4 1 53.37 3.80 1.7167 3 1 3 53.59 7.22 1.7100 3 5 1 53.71 2.67 1.7067 1 5 2 54.01 2.16 1.6979 4 3 2 54.77 1.46 1.6762 6 0 0 55.30 3.84 1.6611 1 6 1 55.39 7.00 1.6587 5 1 2 55.52 4.87 1.6553 6 1 0 57.10 3.15 1.6129 4 5 0 57.73 1.19 1.5970 2 6 1 59.04 1.91 1.5646 4 1 3 59.17 4.95 1.5614 4 4 2 59.29 1.83 1.5585 3 3 3 59.86 1.02 1.5450 6 2 1 60.14 2.92 1.5386 3 5 2 60.39 3.12 1.5329 2 4 3 60.65 1.36 1.5268 0 0 4 60.96 6.97 1.5198 0 6 2 61.19 5.73 1.5147 5 3 2 61.31 4.40 1.5121 6 3 0 61.36 1.53 1.5110 0 1 4 61.42 4.91 1.5096 1 0 4 61.63 3.04 1.5050 3 6 1 61.73 7.31 1.5027 1 6 2 62.12 3.42 1.4942 1 1 4 63.98 5.28 1.4552 6 1 2 64.00 3.42 1.4548 2 6 2 64.38 2.31 1.4471 2 1 4 64.64 1.05 1.4420 4 3 3 64.86 2.23 1.4375 4 6 0 66.00 1.82 1.4154 5 4 2 66.02 3.81 1.4151 6 2 2 66.12 1.09 1.4132 6 4 0 66.41 1.54 1.4076 2 2 4 66.59 2.60 1.4044 2 5 3 66.79 2.40 1.4007 2 7 1 67.57 1.04 1.3864 1 3 4 67.57 4.44 1.3863 7 1 1 67.89 1.01 1.3806 5 2 3 68.06 1.10 1.3775 3 1 4 68.45 2.05 1.3706 3 7 0 69.32 1.11 1.3555 4 4 3 69.35 3.10 1.3551 6 3 2 69.74 2.78 1.3485 2 3 4 70.40 2.31 1.3373 3 7 1 70.50 2.61 1.3357 1 7 2 71.68 1.10 1.3166 1 6 3 71.95 2.36 1.3124 5 5 2 72.06 1.25 1.3107 6 5 0 72.16 4.14 1.3090 1 4 4 72.63 1.74 1.3017 2 7 2 72.81 2.55 1.2989 7 3 1 73.44 1.95 1.2893 4 7 0 73.80 1.22 1.2840 2 6 3 74.45 1.12 1.2744 1 8 1 74.65 1.09 1.2714 2 8 0 74.98 1.72 1.2666 4 2 4 75.15 1.15 1.2642 4 5 3 77.28 1.05 1.2347 3 6 3 78.47 2.45 1.2189 7 3 2 79.30 2.27 1.2081 5 1 4 79.58 1.73 1.2046 1 1 5 82.91 1.44 1.1645 7 5 1 83.49 1.11 1.1578 2 2 5 84.29 2.43 1.1489 5 3 4 86.79 1.40 1.1221 2 6 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.