Wilhelmkleinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R070060 Adiwidjaja G, Friese K, Klaska K H, Moore P B, Schluter J Zeitschrift fur Kristallographie 215 (2000) 96-101 The crystal structure of the new mineral wilhelmkleinite ZnFe3+2(OH)2(AsO4)2 Locality: Tsumeb mine, Namibia CELL PARAMETERS: 6.6420 7.6210 7.3940 90.000 91.000 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.00000 0.50000 1.000 0.880 Fe 0.22856 0.36444 0.26271 1.000 0.566 As 0.24265 0.62398 0.63321 1.000 0.457 O 0.22200 0.44359 0.50673 1.000 0.971 O 0.06002 0.63490 0.78564 1.000 0.766 O 0.46181 0.61580 0.75421 1.000 0.821 O 0.23482 0.80790 0.50638 1.000 0.766 O 0.24552 0.11675 0.35613 1.000 0.687 H 0.33600 0.11800 0.42200 1.000 3.948 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 39.50577295 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 17.71 10.34 5.0068 1 1 0 17.80 8.64 4.9838 -1 0 1 18.11 13.35 4.8981 1 0 1 21.30 5.99 4.1711 -1 1 1 21.57 16.20 4.1204 1 1 1 23.34 3.45 3.8105 0 2 0 24.08 3.77 3.6964 0 0 2 26.31 100.00 3.3871 0 2 1 26.81 24.10 3.3259 0 1 2 26.85 38.99 3.3205 2 0 0 26.98 3.31 3.3051 1 2 0 29.51 7.66 3.0271 -1 2 1 29.70 3.58 3.0076 1 2 1 29.86 2.52 2.9927 -1 1 2 30.24 34.73 2.9553 1 1 2 31.61 22.76 2.8308 -2 1 1 31.97 17.39 2.7991 2 1 1 33.78 5.06 2.6532 0 2 2 35.87 3.88 2.5034 2 2 0 36.04 2.58 2.4919 -2 0 2 36.70 2.30 2.4490 2 0 2 37.43 3.87 2.4025 0 3 1 37.79 9.73 2.3807 -2 2 1 37.92 4.06 2.3727 1 3 0 37.99 14.94 2.3685 -2 1 2 38.10 12.24 2.3617 2 2 1 38.39 7.29 2.3448 0 1 3 38.62 8.38 2.3316 2 1 2 38.75 16.43 2.3236 -1 0 3 39.21 2.08 2.2973 1 0 3 42.42 1.40 2.1309 -3 0 1 42.53 6.49 2.1258 3 1 0 43.21 6.18 2.0936 0 3 2 43.39 1.16 2.0855 -2 2 2 43.75 2.89 2.0693 0 2 3 44.55 5.12 2.0340 3 1 1 45.29 6.63 2.0024 -1 3 2 46.14 1.96 1.9674 1 2 3 47.74 9.61 1.9052 0 4 0 49.08 6.58 1.8563 -3 1 2 49.31 1.20 1.8482 0 0 4 49.36 1.41 1.8463 3 2 1 49.84 1.66 1.8296 3 1 2 51.36 4.67 1.7789 -2 3 2 51.86 3.79 1.7631 2 3 2 53.44 1.47 1.7146 -1 3 3 53.80 1.18 1.7039 1 3 3 54.16 11.06 1.6935 0 4 2 54.30 2.30 1.6894 3 2 2 55.30 1.56 1.6613 -3 0 3 55.34 13.06 1.6602 4 0 0 55.62 14.52 1.6525 2 4 0 56.35 6.95 1.6327 3 0 3 56.57 1.63 1.6270 -2 0 4 56.87 14.17 1.6191 -1 2 4 57.33 12.00 1.6072 1 2 4 57.96 1.22 1.5912 -2 1 4 58.85 6.87 1.5693 -2 3 3 59.52 4.13 1.5531 2 3 3 61.24 6.15 1.5136 3 3 2 62.06 4.65 1.4955 -4 2 1 62.09 3.61 1.4949 -4 1 2 62.19 2.72 1.4928 0 5 1 62.50 4.20 1.4861 4 2 1 63.10 1.13 1.4733 -1 4 3 63.43 5.60 1.4665 1 4 3 63.97 1.16 1.4554 1 5 1 64.84 2.92 1.4379 1 0 5 66.06 1.32 1.4142 3 4 1 66.34 1.40 1.4091 0 5 2 67.74 1.12 1.3833 3 1 4 67.91 3.24 1.3803 -1 5 2 68.29 1.17 1.3735 3 3 3 68.52 1.66 1.3695 -4 3 1 68.73 2.80 1.3657 -4 1 3 70.26 6.47 1.3397 -3 2 4 71.49 8.20 1.3197 3 2 4 72.02 1.10 1.3113 -5 0 1 72.28 1.33 1.3072 -4 3 2 72.73 1.82 1.3003 -2 5 2 73.75 1.01 1.2847 5 1 1 76.00 3.06 1.2521 -3 4 3 76.03 3.28 1.2518 0 6 1 76.04 2.47 1.2517 4 4 0 76.90 1.68 1.2398 3 4 3 76.91 1.75 1.2396 -3 0 5 77.86 2.02 1.2269 5 1 2 79.05 1.17 1.2113 -2 5 3 79.94 2.13 1.2001 -1 1 6 80.73 2.22 1.1903 -4 4 2 81.16 2.17 1.1851 3 5 2 81.51 1.23 1.1809 4 4 2 82.22 1.41 1.1725 -2 6 1 83.91 3.28 1.1531 -1 4 5 89.95 1.80 1.0907 1 3 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.