Annabergite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060564 Wildner M, Giester G, Lengauer C L, McCammon C A European Journal of Mineralogy 8 (1996) 187-192 Structure and crystal chemistry of vivianite-type compounds: Crystal structures of erythrite and annabergite with a Mossbauer study of erythrite CELL PARAMETERS: 10.1920 13.3700 4.7350 90.000 105.130 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Ni 0.00000 0.00000 0.00000 0.990 0.997 Mg 0.00000 0.00000 0.00000 0.010 0.997 Ni 0.00000 0.38583 0.00000 0.825 0.964 Mg 0.00000 0.38583 0.00000 0.175 0.964 As 0.31620 0.00000 0.37558 1.000 0.844 O 0.14910 0.00000 0.38070 1.000 0.844 O 0.40720 0.00000 0.72870 1.000 1.112 O 0.34290 0.10760 0.21040 1.000 1.126 O 0.09610 0.11350 0.81260 1.000 1.328 O 0.40010 0.22530 0.71830 1.000 1.584 H 0.11800 0.08500 0.67400 1.000 1.808 H 0.16400 0.12800 0.92400 1.000 3.269 H 0.37200 0.20500 0.54500 1.000 3.679 H 0.44600 0.27500 0.71100 1.000 3.608 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 12 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 32.37616405 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.17 29.88 7.9243 1 1 0 13.24 100.00 6.6850 0 2 0 18.03 8.25 4.9194 2 0 0 19.42 2.78 4.5709 0 0 1 20.29 18.29 4.3777 -1 1 1 21.89 4.31 4.0596 1 3 0 22.44 2.08 3.9622 2 2 0 22.84 12.17 3.8934 -2 0 1 24.44 4.92 3.6419 1 1 1 26.49 1.32 3.3644 -2 2 1 26.67 2.93 3.3425 0 4 0 27.78 34.46 3.2119 -1 3 1 28.01 9.10 3.1851 3 1 0 29.85 18.76 2.9933 -3 1 1 29.96 24.50 2.9827 2 0 1 32.38 5.24 2.7647 2 4 0 32.88 25.20 2.7239 2 2 1 33.20 18.60 2.6981 0 4 1 33.94 14.22 2.6414 3 3 0 35.39 6.95 2.5361 -2 4 1 36.69 15.80 2.4491 -4 0 1 38.64 4.83 2.3302 -1 1 2 38.88 1.67 2.3166 -2 0 2 38.89 13.55 2.3160 -1 5 1 39.17 6.29 2.2996 -4 2 1 40.48 1.46 2.2283 0 6 0 40.54 1.64 2.2255 2 4 1 41.24 5.37 2.1889 -2 2 2 41.34 3.35 2.1840 1 5 1 41.77 1.22 2.1625 0 2 2 43.46 3.76 2.0825 1 1 2 43.68 9.99 2.0724 3 5 0 44.64 1.08 2.0298 2 6 0 45.27 2.02 2.0030 0 6 1 45.94 3.17 1.9755 -4 4 1 46.66 3.53 1.9468 5 1 0 46.66 1.14 1.9467 -4 0 2 46.78 4.60 1.9421 -3 3 2 47.72 9.70 1.9057 1 3 2 48.08 1.30 1.8925 2 0 2 49.81 3.04 1.8305 -5 3 1 51.17 1.07 1.7852 2 6 1 51.32 1.21 1.7803 3 5 1 51.77 2.70 1.7658 -1 7 1 54.19 1.10 1.6925 4 4 1 54.55 2.90 1.6822 -4 4 2 54.66 5.13 1.6792 -3 5 2 54.94 7.24 1.6712 0 8 0 55.51 8.67 1.6555 1 5 2 55.69 1.14 1.6505 3 7 0 55.77 1.28 1.6482 -4 6 1 55.82 2.40 1.6469 2 4 2 55.91 1.87 1.6445 5 1 1 56.09 2.07 1.6398 6 0 0 57.07 2.60 1.6138 -5 3 2 57.39 3.43 1.6055 -5 5 1 57.90 3.25 1.5926 6 2 0 58.21 1.22 1.5849 5 5 0 59.52 4.20 1.5532 5 3 1 60.26 1.03 1.5357 -2 8 1 60.27 3.42 1.5356 -6 0 2 60.79 1.57 1.5236 0 0 3 61.48 3.58 1.5082 -6 4 1 62.01 1.23 1.4966 -6 2 2 62.25 4.22 1.4914 4 0 2 62.49 1.15 1.4863 -1 7 2 62.52 1.28 1.4855 0 2 3 62.79 2.25 1.4799 -1 3 3 62.80 1.04 1.4796 -4 0 3 63.45 1.02 1.4660 -4 6 2 63.78 1.44 1.4592 -3 3 3 63.84 4.24 1.4580 2 8 1 63.96 1.65 1.4556 4 2 2 64.08 1.47 1.4533 -5 5 2 64.50 1.19 1.4447 -4 2 3 64.68 1.47 1.4411 1 1 3 65.46 2.63 1.4257 -2 4 3 66.00 1.28 1.4155 1 7 2 66.37 2.95 1.4086 5 5 1 67.57 1.07 1.3864 0 4 3 67.90 2.71 1.3805 -4 8 1 69.46 2.36 1.3532 -1 5 3 70.22 1.35 1.3404 7 3 0 70.40 2.29 1.3373 -3 5 3 70.40 1.90 1.3373 -3 9 1 70.42 2.37 1.3370 0 10 0 74.23 1.25 1.2776 -7 5 1 76.22 1.51 1.2491 7 1 1 76.58 1.81 1.2441 7 5 0 78.38 1.96 1.2200 2 10 1 78.85 1.17 1.2140 3 3 3 81.32 1.38 1.1832 -2 0 4 82.13 1.22 1.1735 -4 10 1 82.39 1.14 1.1705 6 8 0 83.33 1.17 1.1597 -7 3 3 85.01 1.14 1.1410 3 5 3 85.96 1.45 1.1308 -6 8 2 87.71 1.88 1.1127 4 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.