Davidlloydite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R130015 Hawthorne F C, Cooper M A, Abdu Y A, Ball N A, Back M E, Tait K T Mineralogical Magazine 76 (2012) 45-57 Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure Locality: Tsumeb, Namibia _database_code_amcsd 0018665 CELL PARAMETERS: 5.9756 7.6002 5.4471 84.289 90.492 87.996 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.50000 0.50000 0.600 0.966 Cu 0.00000 0.50000 0.50000 0.400 0.966 Zn 0.23922 0.10407 0.81081 1.000 0.968 As 0.25896 0.87032 0.33696 1.000 0.723 O 0.48130 0.76440 0.22590 1.000 1.208 O 0.29960 0.89720 0.63540 1.000 1.153 O 0.02710 0.74640 0.31440 1.000 1.011 O 0.19520 0.06300 0.16740 1.000 1.145 O 0.22290 0.40100 0.27260 1.000 1.429 O 0.27110 0.54200 0.78340 1.000 1.642 H 0.21100 0.27620 0.24500 1.000 3.079 H 0.23200 0.45300 0.10100 1.000 4.422 H 0.41300 0.48100 0.74800 1.000 4.579 H 0.32500 0.66200 0.79100 1.000 4.658 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 19.83370660 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.71 100.00 7.5576 0 1 0 14.84 14.87 5.9715 1 0 0 16.36 27.94 5.4197 0 0 1 18.60 2.36 4.7697 1 1 0 19.18 89.29 4.6286 0 1 1 19.27 16.21 4.6055 -1 1 0 21.10 23.38 4.2097 0 -1 1 22.01 3.66 4.0377 -1 0 1 22.29 8.63 3.9892 1 0 1 23.54 11.50 3.7788 0 2 0 24.47 34.34 3.6378 -1 1 1 26.26 31.65 3.3939 1 -1 1 27.39 40.23 3.2560 0 2 1 27.47 9.32 3.2464 1 2 0 29.93 44.34 2.9858 2 0 0 30.15 49.22 2.9640 0 -2 1 30.97 13.08 2.8876 1 2 1 31.61 1.91 2.8306 -1 2 1 31.83 49.11 2.8117 2 1 0 32.64 20.88 2.7433 -2 1 0 33.06 25.92 2.7098 0 0 2 33.27 30.00 2.6926 -1 -2 1 34.01 16.99 2.6358 0 1 2 34.24 12.54 2.6188 1 -2 1 34.47 2.23 2.6018 2 0 1 35.64 23.23 2.5192 0 3 0 36.24 5.35 2.4790 -1 0 2 36.32 4.54 2.4735 0 -1 2 36.37 6.25 2.4700 -2 -1 1 36.58 23.50 2.4564 1 0 2 37.30 15.55 2.4107 -1 1 2 37.44 9.00 2.4022 2 -1 1 37.72 4.94 2.3849 2 2 0 37.85 7.68 2.3770 0 3 1 38.27 2.28 2.3516 1 3 0 39.10 4.65 2.3039 -1 -1 2 40.50 31.21 2.2271 2 2 1 41.28 7.30 2.1870 -1 3 1 41.52 24.94 2.1750 -2 2 1 41.69 1.26 2.1665 1 2 2 42.21 8.18 2.1412 -2 -2 1 42.97 1.36 2.1048 0 -2 2 43.78 4.00 2.0677 2 -2 1 44.36 6.61 2.0420 1 -3 1 44.90 11.06 2.0188 -2 0 2 45.26 1.15 2.0037 -1 -2 2 45.47 11.72 1.9946 2 0 2 48.09 4.64 1.8921 -2 3 0 48.16 4.47 1.8894 0 4 0 48.25 3.89 1.8862 2 3 1 48.53 1.72 1.8758 -3 0 1 48.94 2.79 1.8612 3 0 1 48.99 2.31 1.8594 1 3 2 49.55 5.71 1.8396 2 2 2 49.64 1.42 1.8364 3 1 1 49.71 2.50 1.8342 -2 3 1 50.11 1.83 1.8203 -3 -1 1 50.15 4.86 1.8189 -2 2 2 50.60 5.84 1.8038 -2 -3 1 51.24 3.55 1.7830 -1 4 0 51.46 1.08 1.7759 1 4 1 52.45 2.62 1.7447 -2 -2 2 52.53 3.09 1.7421 2 -3 1 53.14 1.24 1.7234 -1 1 3 53.15 1.13 1.7234 1 0 3 53.25 4.84 1.7201 1 1 3 53.30 1.43 1.7187 0 -1 3 53.83 1.02 1.7031 -1 -3 2 54.03 5.55 1.6972 0 2 3 54.61 3.84 1.6806 -3 2 1 54.64 1.39 1.6798 -3 -2 1 54.65 2.92 1.6793 -1 -4 1 54.88 9.11 1.6729 1 -3 2 55.33 6.05 1.6604 -1 -1 3 55.94 1.05 1.6438 2 3 2 55.97 4.01 1.6430 1 -1 3 56.28 3.11 1.6346 1 2 3 56.44 13.87 1.6305 -1 2 3 56.53 5.00 1.6280 0 4 2 56.59 4.08 1.6264 3 -2 1 56.71 12.40 1.6232 2 4 0 57.01 2.74 1.6153 -2 3 2 57.08 7.28 1.6136 -3 0 2 57.81 1.00 1.5950 3 0 2 58.01 3.48 1.5900 2 4 1 58.04 4.68 1.5890 3 1 2 58.77 13.16 1.5712 -2 4 0 59.18 2.53 1.5613 -1 4 2 59.73 1.97 1.5481 3 3 1 59.80 1.76 1.5465 -2 4 1 60.15 1.07 1.5383 -2 -3 2 60.60 3.74 1.5280 -1 -2 3 61.33 5.75 1.5115 0 5 0 61.45 13.12 1.5090 1 -2 3 61.67 2.80 1.5041 -3 -3 1 61.94 6.91 1.4981 1 3 3 62.11 2.51 1.4944 2 -3 2 62.18 11.59 1.4929 4 0 0 62.33 2.66 1.4896 -1 3 3 62.69 1.08 1.4820 0 -4 2 62.88 1.82 1.4780 1 5 0 63.04 2.42 1.4747 4 1 0 64.23 6.69 1.4502 -1 -4 2 64.54 2.04 1.4438 2 4 2 65.41 1.67 1.4268 1 -4 2 65.47 1.59 1.4257 4 1 1 65.78 1.80 1.4197 0 -5 1 65.97 3.92 1.4160 -4 1 1 66.01 1.93 1.4153 -2 4 2 66.51 1.26 1.4059 4 2 0 67.06 1.07 1.3957 3 4 0 67.14 1.11 1.3941 4 -1 1 67.21 1.80 1.3929 -1 -5 1 68.08 1.68 1.3773 2 3 3 68.14 1.50 1.3762 0 4 3 68.20 3.14 1.3751 -1 -3 3 68.52 2.49 1.3694 4 2 1 68.57 1.34 1.3686 2 5 0 68.82 1.55 1.3642 -2 3 3 69.38 2.16 1.3545 2 5 1 69.50 1.57 1.3525 1 5 2 69.51 4.82 1.3524 -4 -2 1 69.94 1.70 1.3450 -4 2 1 70.22 2.48 1.3405 -3 -3 2 70.45 3.24 1.3366 -3 1 3 70.89 1.15 1.3294 -2 5 0 71.14 1.40 1.3253 -1 1 4 71.17 3.85 1.3248 -1 0 4 71.34 2.55 1.3220 1 1 4 71.47 3.12 1.3199 -2 5 1 71.60 1.63 1.3179 1 0 4 71.78 2.61 1.3150 4 -2 1 71.82 1.23 1.3143 -4 0 2 72.03 1.46 1.3111 0 -1 4 72.78 2.24 1.2994 4 1 2 73.10 4.34 1.2945 3 2 3 73.50 1.74 1.2884 -3 2 3 73.51 4.23 1.2883 3 -1 3 73.61 1.36 1.2867 -1 2 4 74.01 2.24 1.2809 4 3 1 74.40 1.64 1.2751 3 4 2 75.05 2.66 1.2656 2 5 2 75.13 3.91 1.2645 -4 3 0 75.81 2.83 1.2548 0 6 1 76.28 4.64 1.2483 -3 -2 3 76.28 1.08 1.2482 -4 3 1 76.87 2.26 1.2401 -2 5 2 77.57 1.09 1.2308 1 -5 2 77.89 1.58 1.2264 3 3 3 78.56 1.32 1.2177 3 -2 3 78.95 2.20 1.2126 -3 3 3 79.23 1.51 1.2091 -3 -4 2 80.88 1.43 1.1885 0 6 2 81.30 1.03 1.1834 -3 5 0 82.49 2.14 1.1693 3 -4 2 82.53 1.31 1.1688 1 -6 1 85.24 1.62 1.1385 1 4 4 85.46 1.20 1.1361 3 -5 1 85.89 1.42 1.1315 -1 -3 4 85.91 1.06 1.1313 3 -3 3 86.17 1.36 1.1286 -2 -6 1 86.38 1.15 1.1264 -3 0 4 86.57 1.41 1.1244 -3 1 4 86.86 1.26 1.1214 -5 -2 1 87.60 1.51 1.1138 3 0 4 87.63 1.33 1.1135 4 4 2 89.06 1.11 1.0993 3 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.