Nickel-Talmessite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R090023 Catti M, Ferraris G, Ivaldi G Bulletin de Mineralogie 100 (1977) 230-236 Hydrogen bonding in the crystalline state. Structure of talmessite, Ca2(Mg,Co)(AsO4)2*2H2O, and crystal chemistry of related minerals Locality: Bou-Azzer, Morocco CELL PARAMETERS: 5.8910 6.9820 5.5670 97.450 108.850 108.190 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.29490 0.76220 0.65290 1.000 0.890 Mg 0.00000 0.00000 0.00000 0.650 1.440 Co 0.00000 0.00000 0.00000 0.350 1.440 As 0.33410 0.24600 0.67030 1.000 0.433 O 0.34200 0.12720 0.92170 1.000 1.107 O 0.23850 0.05040 0.39860 1.000 1.180 O 0.15500 0.39160 0.64120 1.000 1.086 O 0.63950 0.38640 0.71490 1.000 1.348 Wa 0.95330 0.27780 0.07450 1.000 0.696 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 14.73742601 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.81 16.14 6.4114 0 1 0 17.17 6.79 5.1630 1 0 0 17.41 22.93 5.0923 0 0 1 17.52 33.85 5.0608 -1 1 0 19.18 21.58 4.6266 -1 0 1 19.28 7.41 4.6036 0 -1 1 22.48 15.96 3.9542 -1 1 1 24.89 33.50 3.5774 -1 -1 1 24.96 32.82 3.5669 0 1 1 25.92 4.95 3.4373 1 1 0 26.63 34.05 3.3477 -1 2 0 26.93 9.22 3.3102 1 -1 1 27.83 59.21 3.2057 0 2 0 28.86 26.14 3.0940 0 -2 1 28.99 100.00 3.0797 1 0 1 31.55 2.87 2.8359 -2 1 1 31.73 52.75 2.8201 1 -2 1 32.12 9.14 2.7865 -2 1 0 32.26 30.96 2.7751 -1 2 1 32.26 72.27 2.7745 -2 0 1 32.66 60.52 2.7416 -1 0 2 34.40 21.64 2.6067 0 -1 2 34.75 13.80 2.5815 2 0 0 35.25 2.30 2.5462 0 0 2 35.48 1.09 2.5304 -2 2 0 35.71 9.96 2.5141 -1 -2 1 36.61 2.62 2.4545 -1 1 2 36.76 1.36 2.4449 0 2 1 36.78 17.47 2.4438 -2 2 1 38.23 1.93 2.3543 1 2 0 38.63 13.77 2.3305 -2 -1 1 39.06 3.61 2.3059 -1 3 0 41.70 26.60 2.1661 -1 -2 2 42.29 1.23 2.1371 0 3 0 42.39 3.95 2.1321 2 1 0 42.60 2.46 2.1221 2 -2 1 43.62 16.91 2.0751 -2 3 0 44.32 9.38 2.0439 1 -2 2 44.81 10.69 2.0228 -1 3 1 45.09 1.10 2.0107 2 0 1 45.11 16.19 2.0097 -1 2 2 45.90 4.00 1.9771 -2 2 2 46.27 1.12 1.9621 -3 1 1 48.13 21.29 1.8907 1 2 1 48.16 4.77 1.8896 -3 2 1 48.79 14.72 1.8667 -2 -2 1 49.38 1.24 1.8456 -3 1 0 49.64 2.73 1.8365 -1 0 3 49.79 10.06 1.8314 -3 2 0 50.56 9.32 1.8054 1 -3 2 51.06 4.19 1.7887 -2 -2 2 51.22 11.14 1.7835 0 2 2 51.34 2.68 1.7797 -3 0 2 51.79 2.53 1.7651 -2 0 3 52.08 1.75 1.7561 0 -1 3 52.13 1.67 1.7545 1 3 0 52.49 1.82 1.7434 1 1 2 53.22 18.06 1.7210 3 0 0 53.30 7.22 1.7186 2 2 0 53.35 9.62 1.7173 -3 2 2 53.48 15.91 1.7133 1 -4 1 53.74 3.63 1.7056 -2 -1 3 53.86 2.03 1.7021 -1 1 3 53.86 7.39 1.7021 -1 -2 3 54.02 20.99 1.6974 0 0 3 54.28 9.32 1.6900 0 -2 3 54.85 1.45 1.6738 -2 4 0 55.52 5.49 1.6551 2 -2 2 55.85 1.31 1.6461 2 -1 2 56.51 5.27 1.6286 -3 -1 2 57.50 8.48 1.6028 0 4 0 57.83 4.56 1.5944 3 -2 1 58.33 14.41 1.5819 -2 4 1 58.72 1.16 1.5723 3 -1 1 59.57 5.70 1.5519 -2 -2 3 59.99 4.87 1.5422 -3 0 3 60.05 3.72 1.5406 -2 2 3 60.09 7.59 1.5398 2 0 2 60.24 5.91 1.5362 -3 3 2 60.50 1.24 1.5302 1 -1 3 60.74 1.65 1.5247 1 -2 3 60.80 5.92 1.5233 3 -3 1 61.70 2.58 1.5034 -1 2 3 62.16 1.95 1.4934 -2 -3 2 62.54 4.12 1.4853 -3 4 0 62.76 2.92 1.4805 1 2 2 63.60 1.67 1.4629 2 2 1 63.62 2.00 1.4626 0 3 2 63.64 5.20 1.4622 -4 2 1 63.83 5.23 1.4583 -4 1 1 64.21 1.73 1.4506 -3 2 3 65.09 4.38 1.4330 -3 -2 2 65.16 8.58 1.4317 -1 -4 2 65.37 1.05 1.4277 0 4 1 65.87 2.53 1.4179 -4 2 2 66.29 12.23 1.4100 2 -4 2 67.09 4.38 1.3950 -4 3 1 67.19 1.56 1.3932 -4 2 0 67.50 1.76 1.3876 -2 4 2 67.52 4.48 1.3873 -4 0 2 67.65 1.61 1.3849 -4 0 1 67.65 2.32 1.3849 -1 -1 4 68.30 1.77 1.3732 -2 5 0 68.44 5.90 1.3708 -2 0 4 68.67 1.33 1.3667 -2 -3 3 68.80 2.06 1.3645 -1 0 4 68.91 2.36 1.3626 0 2 3 68.96 1.58 1.3617 -2 -1 4 69.34 2.60 1.3552 -2 3 3 69.58 6.22 1.3511 0 -4 3 70.06 1.64 1.3431 -1 -2 4 70.23 5.28 1.3402 -1 4 2 70.25 1.91 1.3398 -3 4 2 70.49 5.28 1.3359 -3 -2 3 71.31 3.95 1.3225 3 2 0 71.38 2.79 1.3214 3 1 1 72.45 1.33 1.3045 1 -5 2 72.52 1.32 1.3034 0 -2 4 72.98 2.20 1.2964 -2 -2 4 73.95 1.58 1.2818 -4 4 1 74.33 2.29 1.2761 2 -3 3 74.54 1.25 1.2731 0 0 4 74.71 1.12 1.2706 -1 5 1 74.83 1.26 1.2688 -4 -1 1 76.06 6.10 1.2513 -2 -4 1 76.14 2.39 1.2502 4 -2 1 76.50 1.11 1.2452 2 -5 2 76.77 5.77 1.2416 1 4 1 76.87 2.16 1.2402 2 3 1 76.99 1.41 1.2385 3 -5 1 77.83 1.40 1.2272 -2 2 4 78.23 2.78 1.2219 -4 4 2 78.47 4.14 1.2189 2 2 2 79.54 2.09 1.2052 -3 2 4 80.19 1.68 1.1969 1 -2 4 81.07 1.29 1.1862 1 -1 4 81.33 1.59 1.1831 -1 2 4 81.46 1.10 1.1815 -2 4 3 81.57 2.45 1.1802 4 -4 1 81.69 1.72 1.1788 0 -5 3 82.03 2.57 1.1748 -3 4 3 82.38 1.22 1.1706 3 2 1 82.84 1.07 1.1653 -4 -2 2 83.02 1.41 1.1632 -3 5 2 83.60 1.37 1.1566 -4 0 4 84.20 2.55 1.1499 4 0 1 85.27 3.04 1.1382 1 0 4 86.37 1.98 1.1265 -4 2 4 88.22 2.17 1.1075 3 -2 3 88.41 1.12 1.1057 2 -5 3 88.46 2.64 1.1052 1 -4 4 89.91 1.03 1.0911 0 2 4 89.95 2.05 1.0908 4 -3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.