Wavellite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050219 Araki T, Zoltai T Zeitschrift fur Kristallographie 127 (1968) 21-33 The crystal structure of wavellite Locality: Montgomery County, Arkansas, USA CELL PARAMETERS: 9.6030 17.3320 6.9750 90.000 90.000 90.000 SPACE GROUP: Pcmn ATOM X Y Z OCCUPANCY ISO(B) Al 0.22384 0.25000 0.12326 1.000 0.684 Al 0.75605 0.01638 0.14186 1.000 0.371 P 0.06061 0.09221 0.10399 1.000 0.425 O 0.90525 0.08349 0.06432 1.000 0.904 O 0.08916 0.17642 0.15555 1.000 1.242 O 0.10095 0.04183 0.27355 1.000 1.011 O 0.36037 0.07246 0.42258 1.000 0.989 OH 0.27997 0.25000 0.36925 1.000 0.777 OH 0.82173 0.01851 0.39490 1.000 1.045 Wa 0.37060 0.17055 0.09551 1.000 2.237 Wa 0.64979 0.11144 0.19740 1.000 1.395 Wa 0.81314 0.25000 0.23453 0.500 5.575 Wa 0.78308 0.25000 0.11326 0.500 4.856 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 15 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 7.204134437 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.21 100.00 8.6660 0 2 0 10.53 96.30 8.3999 1 1 0 15.70 57.70 5.6434 1 0 1 16.52 14.92 5.3662 1 1 1 17.92 16.36 4.9505 1 3 0 18.48 21.98 4.8015 2 0 0 18.76 9.78 4.7291 1 2 1 20.50 1.85 4.3330 0 4 0 22.02 8.44 4.0370 1 3 1 22.48 9.21 3.9550 2 0 1 23.07 2.69 3.8559 2 1 1 24.74 2.32 3.5980 2 2 1 25.92 10.38 3.4368 1 4 1 26.06 62.35 3.4190 0 1 2 27.20 1.20 3.2780 1 0 2 27.33 10.12 3.2635 2 3 1 27.70 4.55 3.2209 1 1 2 27.73 60.38 3.2168 2 4 0 28.35 8.45 3.1478 3 1 0 29.13 22.05 3.0660 1 2 2 29.93 5.07 2.9857 0 3 2 30.26 11.24 2.9537 1 5 1 30.60 11.67 2.9211 2 4 1 30.73 1.94 2.9093 3 0 1 30.96 4.28 2.8887 0 6 0 31.17 4.20 2.8691 3 1 1 31.71 1.12 2.8217 2 0 2 31.96 13.69 2.8000 3 3 0 32.46 1.55 2.7580 3 2 1 32.97 1.02 2.7168 0 4 2 34.30 1.98 2.6142 1 4 2 34.40 4.99 2.6068 2 5 1 34.52 10.34 2.5984 3 3 1 34.89 32.05 2.5714 1 6 1 35.40 8.45 2.5355 2 3 2 36.29 1.56 2.4752 2 6 0 36.55 1.48 2.4585 0 5 2 37.23 1.93 2.4153 3 4 1 37.46 4.66 2.4007 4 0 0 38.16 11.03 2.3582 3 0 2 38.60 1.60 2.3327 2 6 1 39.71 7.14 2.2700 4 0 1 39.75 1.16 2.2674 1 7 1 40.48 4.78 2.2284 3 5 1 41.10 1.23 2.1960 4 2 1 41.25 1.06 2.1883 2 5 2 41.29 1.88 2.1866 1 2 3 41.67 2.53 2.1672 1 6 2 42.98 5.16 2.1045 1 3 3 43.08 15.07 2.1000 4 4 0 43.10 2.76 2.0987 2 7 1 43.23 10.70 2.0926 2 0 3 43.56 4.30 2.0775 2 1 3 44.18 5.03 2.0498 3 6 1 44.54 3.83 2.0341 2 2 3 44.81 1.19 2.0226 1 8 1 45.09 1.38 2.0108 4 4 1 45.93 2.07 1.9757 1 7 2 45.96 10.42 1.9748 2 8 0 46.14 1.38 1.9675 2 3 3 46.20 1.34 1.9648 4 1 2 46.36 10.42 1.9585 3 7 0 46.58 1.57 1.9498 3 5 2 47.64 1.23 1.9089 5 1 0 47.90 1.65 1.8991 4 5 1 48.19 2.25 1.8882 1 9 0 48.27 2.28 1.8856 3 7 1 49.53 1.08 1.8403 0 8 2 49.59 1.45 1.8383 3 2 3 49.92 5.49 1.8268 3 6 2 50.39 3.39 1.8108 5 2 1 50.50 1.49 1.8074 1 8 2 51.85 1.66 1.7633 5 3 1 52.48 7.70 1.7437 0 0 4 53.07 2.14 1.7255 3 4 3 53.34 8.80 1.7177 4 5 2 53.40 1.49 1.7157 1 0 4 53.67 1.40 1.7076 3 7 2 53.68 4.07 1.7073 1 1 4 53.84 1.31 1.7027 5 4 1 54.98 1.94 1.6702 4 0 3 55.02 5.97 1.6691 1 7 3 55.46 1.21 1.6568 1 10 1 55.90 1.16 1.6447 1 3 4 56.08 1.05 1.6400 4 2 3 56.11 1.41 1.6390 2 0 4 57.28 4.74 1.6084 4 8 0 57.38 1.99 1.6058 3 9 1 57.59 1.75 1.6005 6 0 0 57.68 1.24 1.5982 2 7 3 57.98 6.33 1.5906 2 9 2 58.54 2.25 1.5768 2 3 4 58.89 6.73 1.5683 5 4 2 59.45 6.84 1.5548 1 11 0 59.50 1.54 1.5537 6 1 1 60.38 8.84 1.5330 2 4 4 61.06 5.26 1.5176 5 7 0 62.78 3.11 1.4802 3 3 4 63.33 1.26 1.4685 4 9 1 63.47 1.19 1.4657 1 9 3 64.05 10.63 1.4538 5 6 2 64.26 1.25 1.4495 6 1 2 64.52 2.94 1.4443 0 12 0 66.26 1.14 1.4106 6 3 2 66.28 3.35 1.4102 1 7 4 66.87 1.58 1.3992 1 12 1 67.01 1.86 1.3966 3 10 2 67.89 1.13 1.3805 1 0 5 67.94 2.00 1.3797 4 9 2 69.88 2.02 1.3461 7 0 1 69.90 1.02 1.3457 3 9 3 69.94 1.12 1.3450 1 8 4 70.12 2.33 1.3420 7 1 1 70.15 2.51 1.3415 4 4 4 70.16 1.26 1.3413 6 5 2 71.57 2.02 1.3183 6 0 3 72.04 1.22 1.3110 7 3 1 72.28 1.91 1.3071 2 8 4 74.69 1.04 1.2708 5 7 3 75.23 3.72 1.2630 7 2 2 76.19 1.76 1.2495 2 5 5 76.48 3.15 1.2456 1 6 5 76.49 3.73 1.2453 0 13 2 77.50 1.06 1.2317 3 12 2 77.57 1.11 1.2307 3 13 0 79.74 1.24 1.2027 4 10 3 81.40 1.54 1.1823 4 8 4 81.46 1.03 1.1815 7 0 3 81.53 1.24 1.1807 4 3 5 83.26 2.31 1.1605 1 11 4 83.39 1.13 1.1589 8 3 1 83.72 1.00 1.1553 6 3 4 84.67 1.37 1.1448 5 7 4 87.75 1.97 1.1123 0 12 4 89.75 1.18 1.0927 3 0 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.