Talmessite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R080007 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: 5.8870 6.9840 5.5620 97.370 109.010 108.027 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 1.439 Co 0.00000 0.00000 0.00000 0.350 1.439 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 1.181 O 0.15500 0.39160 0.64120 1.000 1.086 O 0.63950 0.38640 0.71490 1.000 1.346 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: 14.70265056 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.79 16.27 6.4220 0 1 0 17.18 6.81 5.1606 1 0 0 17.44 22.94 5.0851 0 0 1 17.56 33.85 5.0514 -1 1 0 19.18 21.68 4.6280 -1 0 1 19.31 7.42 4.5973 0 -1 1 22.48 16.03 3.9549 -1 1 1 24.86 33.75 3.5820 -1 -1 1 24.95 33.00 3.5686 0 1 1 25.88 4.98 3.4421 1 1 0 26.64 34.14 3.3459 -1 2 0 27.01 9.18 3.3007 1 -1 1 27.78 59.72 3.2110 0 2 0 28.85 26.25 3.0942 0 -2 1 29.04 100.00 3.0751 1 0 1 31.56 2.88 2.8348 -2 1 1 31.80 52.62 2.8136 1 -2 1 32.18 9.13 2.7818 -2 1 0 32.24 31.15 2.7770 -1 2 1 32.25 72.65 2.7756 -2 0 1 32.68 60.68 2.7402 -1 0 2 34.47 21.60 2.6018 0 -1 2 34.77 13.84 2.5803 2 0 0 35.30 2.30 2.5425 0 0 2 35.54 1.09 2.5257 -2 2 0 35.65 10.05 2.5183 -1 -2 1 36.62 2.63 2.4542 -1 1 2 36.71 1.36 2.4480 0 2 1 36.79 17.52 2.4428 -2 2 1 38.16 1.95 2.3587 1 2 0 38.58 13.89 2.3334 -2 -1 1 39.05 3.63 2.3066 -1 3 0 41.68 26.74 2.1670 -1 -2 2 42.22 1.25 2.1407 0 3 0 42.36 3.97 2.1337 2 1 0 42.73 2.45 2.1163 2 -2 1 43.67 16.91 2.0726 -2 3 0 44.44 9.33 2.0384 1 -2 2 44.76 10.77 2.0248 -1 3 1 45.09 16.29 2.0106 -1 2 2 45.15 1.10 2.0083 2 0 1 45.89 4.02 1.9774 -2 2 2 46.30 1.13 1.9610 -3 1 1 48.07 21.46 1.8926 1 2 1 48.20 4.77 1.8879 -3 2 1 48.70 14.87 1.8699 -2 -2 1 49.45 1.24 1.8431 -3 1 0 49.69 2.73 1.8349 -1 0 3 49.89 10.03 1.8279 -3 2 0 50.67 9.29 1.8016 1 -3 2 50.99 4.23 1.7910 -2 -2 2 51.20 11.20 1.7843 0 2 2 51.31 2.69 1.7805 -3 0 2 51.80 2.54 1.7649 -2 0 3 52.02 1.69 1.7579 1 3 0 52.18 1.75 1.7528 0 -1 3 52.52 1.83 1.7424 1 1 2 53.22 7.29 1.7210 2 2 0 53.25 18.11 1.7202 3 0 0 53.36 9.65 1.7170 -3 2 2 53.50 15.96 1.7128 1 -4 1 53.74 3.64 1.7057 -2 -1 3 53.89 2.04 1.7014 -1 1 3 53.90 7.40 1.7011 -1 -2 3 54.11 20.97 1.6950 0 0 3 54.39 9.29 1.6869 0 -2 3 54.88 1.46 1.6730 -2 4 0 55.70 5.46 1.6503 2 -2 2 56.00 1.31 1.6421 2 -1 2 56.45 5.31 1.6302 -3 -1 2 57.39 8.57 1.6055 0 4 0 57.99 4.54 1.5904 3 -2 1 58.31 14.49 1.5825 -2 4 1 58.84 1.15 1.5694 3 -1 1 59.54 5.73 1.5526 -2 -2 3 59.96 4.90 1.5427 -3 0 3 60.05 3.74 1.5407 -2 2 3 60.19 7.58 1.5375 2 0 2 60.25 5.93 1.5360 -3 3 2 60.66 1.23 1.5267 1 -1 3 60.92 1.64 1.5208 1 -2 3 60.98 5.89 1.5194 3 -3 1 61.70 2.59 1.5034 -1 2 3 62.05 1.97 1.4957 -2 -3 2 62.64 4.11 1.4831 -3 4 0 62.74 2.93 1.4810 1 2 2 63.55 2.01 1.4640 0 3 2 63.55 1.68 1.4640 2 2 1 63.71 5.20 1.4607 -4 2 1 63.87 5.24 1.4575 -4 1 1 64.20 1.73 1.4507 -3 2 3 64.99 4.43 1.4350 -3 -2 2 65.07 8.65 1.4334 -1 -4 2 65.25 1.06 1.4300 0 4 1 65.90 2.54 1.4174 -4 2 2 66.46 12.16 1.4068 2 -4 2 67.19 4.38 1.3934 -4 3 1 67.32 1.56 1.3909 -4 2 0 67.45 1.77 1.3885 -2 4 2 67.49 4.50 1.3878 -4 0 2 67.65 1.62 1.3850 -4 0 1 67.74 2.31 1.3833 -1 -1 4 68.31 1.77 1.3732 -2 5 0 68.48 5.91 1.3701 -2 0 4 68.61 1.34 1.3678 -2 -3 3 68.88 2.06 1.3631 -1 0 4 68.92 2.37 1.3625 0 2 3 68.99 1.59 1.3612 -2 -1 4 69.31 2.61 1.3557 -2 3 3 69.65 6.23 1.3499 0 -4 3 70.14 1.64 1.3417 -1 -2 4 70.14 5.32 1.3417 -1 4 2 70.25 1.91 1.3400 -3 4 2 70.41 5.33 1.3373 -3 -2 3 71.23 3.98 1.3239 3 2 0 71.39 2.80 1.3212 3 1 1 72.51 1.33 1.3037 1 -5 2 72.68 1.31 1.3009 0 -2 4 73.00 2.20 1.2961 -2 -2 4 74.04 1.58 1.2804 -4 4 1 74.58 2.28 1.2725 2 -3 3 74.60 1.13 1.2722 -1 5 1 74.66 1.25 1.2713 0 0 4 74.78 1.27 1.2696 -4 -1 1 75.89 6.17 1.2537 -2 -4 1 76.33 2.38 1.2476 4 -2 1 76.62 5.84 1.2436 1 4 1 76.65 1.10 1.2431 2 -5 2 76.76 2.18 1.2417 2 3 1 77.15 1.40 1.2363 3 -5 1 77.84 1.40 1.2271 -2 2 4 78.27 2.79 1.2214 -4 4 2 78.45 4.16 1.2191 2 2 2 79.54 2.09 1.2052 -3 2 4 80.43 1.68 1.1941 1 -2 4 81.27 1.28 1.1837 1 -1 4 81.35 1.59 1.1828 -1 2 4 81.39 1.11 1.1823 -2 4 3 81.72 1.72 1.1784 0 -5 3 81.81 2.44 1.1774 4 -4 1 81.99 2.58 1.1751 -3 4 3 82.33 1.22 1.1712 3 2 1 82.72 1.08 1.1667 -4 -2 2 82.99 1.41 1.1636 -3 5 2 83.57 1.38 1.1570 -4 0 4 84.29 2.56 1.1489 4 0 1 85.44 3.04 1.1363 1 0 4 86.37 1.99 1.1265 -4 2 4 88.51 2.16 1.1047 3 -2 3 88.65 1.12 1.1033 2 -5 3 88.70 2.64 1.1028 1 -4 4 89.95 1.03 1.0907 0 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.