Talmessite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060830 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 _database_code_amcsd 0012065 CELL PARAMETERS: 5.8943 6.9899 5.5719 97.353 108.967 108.144 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Ca 0.29490 0.76220 0.65290 1.000 0.891 Mg 0.00000 0.00000 0.00000 0.650 1.442 Co 0.00000 0.00000 0.00000 0.350 1.442 As 0.33410 0.24600 0.67030 1.000 0.434 O 0.34200 0.12720 0.92170 1.000 1.109 O 0.23850 0.05040 0.39860 1.000 1.182 O 0.15500 0.39160 0.64120 1.000 1.088 O 0.63950 0.38640 0.71490 1.000 1.349 Wa 0.95330 0.27780 0.07450 1.000 0.697 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: 14.66229741 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.79 16.21 6.4227 0 1 0 17.17 6.80 5.1644 1 0 0 17.41 22.96 5.0951 0 0 1 17.52 33.85 5.0610 -1 1 0 19.16 21.65 4.6330 -1 0 1 19.28 7.41 4.6041 0 -1 1 22.44 16.03 3.9614 -1 1 1 24.86 33.61 3.5820 -1 -1 1 24.92 32.97 3.5726 0 1 1 25.89 4.96 3.4415 1 1 0 26.60 34.14 3.3506 -1 2 0 26.96 9.20 3.3077 1 -1 1 27.78 59.49 3.2113 0 2 0 28.84 26.20 3.0962 0 -2 1 28.99 100.00 3.0796 1 0 1 31.51 2.88 2.8388 -2 1 1 31.74 52.69 2.8189 1 -2 1 32.13 9.13 2.7861 -2 1 0 32.19 31.14 2.7805 -1 2 1 32.23 72.48 2.7773 -2 0 1 32.62 60.73 2.7449 -1 0 2 34.40 21.64 2.6069 0 -1 2 34.74 13.81 2.5822 2 0 0 35.23 2.31 2.5476 0 0 2 35.47 1.09 2.5305 -2 2 0 35.66 10.00 2.5176 -1 -2 1 36.55 2.64 2.4585 -1 1 2 36.69 1.36 2.4495 0 2 1 36.73 17.53 2.4470 -2 2 1 38.17 1.94 2.3580 1 2 0 38.59 13.83 2.3333 -2 -1 1 39.01 3.63 2.3088 -1 3 0 41.66 26.68 2.1681 -1 -2 2 42.21 1.24 2.1409 0 3 0 42.36 3.96 2.1339 2 1 0 42.63 2.45 2.1206 2 -2 1 43.59 16.94 2.0762 -2 3 0 44.35 9.36 2.0427 1 -2 2 44.71 10.76 2.0267 -1 3 1 45.02 16.30 2.0135 -1 2 2 45.09 1.10 2.0107 2 0 1 45.81 4.03 1.9807 -2 2 2 46.24 1.12 1.9633 -3 1 1 48.06 21.39 1.8933 1 2 1 48.12 4.78 1.8910 -3 2 1 48.72 14.79 1.8692 -2 -2 1 49.38 1.24 1.8455 -3 1 0 49.59 2.74 1.8384 -1 0 3 49.80 10.05 1.8311 -3 2 0 50.57 9.31 1.8048 1 -3 2 50.99 4.21 1.7910 -2 -2 2 51.14 11.21 1.7863 0 2 2 51.27 2.69 1.7818 -3 0 2 51.72 2.55 1.7675 -2 0 3 52.04 1.68 1.7575 1 3 0 52.07 1.75 1.7564 0 -1 3 52.45 1.83 1.7446 1 1 2 53.21 18.08 1.7215 3 0 0 53.23 7.25 1.7208 2 2 0 53.27 9.67 1.7197 -3 2 2 53.44 15.95 1.7145 1 -4 1 53.68 3.64 1.7076 -2 -1 3 53.78 2.04 1.7045 -1 1 3 53.83 7.41 1.7032 -1 -2 3 53.99 21.04 1.6984 0 0 3 54.28 9.32 1.6900 0 -2 3 54.80 1.46 1.6753 -2 4 0 55.57 5.48 1.6538 2 -2 2 55.88 1.31 1.6452 2 -1 2 56.43 5.30 1.6306 -3 -1 2 57.39 8.54 1.6057 0 4 0 57.87 4.55 1.5934 3 -2 1 58.23 14.50 1.5845 -2 4 1 58.75 1.16 1.5717 3 -1 1 59.50 5.72 1.5536 -2 -2 3 59.89 4.90 1.5443 -3 0 3 59.93 3.75 1.5434 -2 2 3 60.09 7.59 1.5398 2 0 2 60.14 5.95 1.5386 -3 3 2 60.52 1.24 1.5299 1 -1 3 60.77 1.64 1.5241 1 -2 3 60.84 5.91 1.5225 3 -3 1 61.59 2.59 1.5058 -1 2 3 62.06 1.96 1.4954 -2 -3 2 62.51 4.12 1.4858 -3 4 0 62.68 2.93 1.4823 1 2 2 63.49 2.01 1.4652 0 3 2 63.53 1.67 1.4645 2 2 1 63.61 5.21 1.4628 -4 2 1 63.79 5.24 1.4590 -4 1 1 64.08 1.73 1.4531 -3 2 3 65.00 4.41 1.4348 -3 -2 2 65.07 8.61 1.4334 -1 -4 2 65.22 1.06 1.4304 0 4 1 65.79 2.54 1.4194 -4 2 2 66.32 12.21 1.4094 2 -4 2 67.06 4.39 1.3957 -4 3 1 67.20 1.56 1.3930 -4 2 0 67.35 1.77 1.3903 -2 4 2 67.44 4.49 1.3887 -4 0 2 67.60 2.32 1.3858 -1 -1 4 67.60 1.62 1.3858 -4 0 1 68.22 1.77 1.3748 -2 5 0 68.35 5.93 1.3725 -2 0 4 68.59 1.34 1.3683 -2 -3 3 68.73 2.07 1.3658 -1 0 4 68.81 2.37 1.3644 0 2 3 68.88 1.59 1.3631 -2 -1 4 69.19 2.62 1.3578 -2 3 3 69.56 6.23 1.3515 0 -4 3 70.02 1.65 1.3438 -1 -2 4 70.07 5.32 1.3429 -1 4 2 70.12 1.92 1.3421 -3 4 2 70.39 5.31 1.3376 -3 -2 3 71.23 3.96 1.3239 3 2 0 71.34 2.79 1.3220 3 1 1 72.42 1.33 1.3051 1 -5 2 72.52 1.32 1.3034 0 -2 4 72.90 2.20 1.2976 -2 -2 4 73.89 1.58 1.2826 -4 4 1 74.39 2.29 1.2752 2 -3 3 74.49 1.25 1.2738 0 0 4 74.54 1.13 1.2730 -1 5 1 74.76 1.27 1.2699 -4 -1 1 75.93 6.14 1.2532 -2 -4 1 76.18 2.38 1.2496 4 -2 1 76.51 1.11 1.2451 2 -5 2 76.61 5.81 1.2438 1 4 1 76.75 2.17 1.2418 2 3 1 76.99 1.41 1.2385 3 -5 1 77.68 1.41 1.2293 -2 2 4 78.12 2.80 1.2235 -4 4 2 78.38 4.15 1.2200 2 2 2 79.37 2.10 1.2072 -3 2 4 80.22 1.68 1.1966 1 -2 4 81.07 1.29 1.1862 1 -1 4 81.19 1.60 1.1848 -1 2 4 81.26 1.11 1.1839 -2 4 3 81.61 2.45 1.1797 4 -4 1 81.64 1.72 1.1794 0 -5 3 81.84 2.59 1.1770 -3 4 3 82.30 1.22 1.1716 3 2 1 82.72 1.08 1.1666 -4 -2 2 82.84 1.41 1.1653 -3 5 2 83.45 1.38 1.1583 -4 0 4 84.19 2.55 1.1500 4 0 1 85.24 3.04 1.1385 1 0 4 86.20 1.99 1.1283 -4 2 4 88.29 2.16 1.1068 3 -2 3 88.45 1.12 1.1053 2 -5 3 88.50 2.64 1.1048 1 -4 4 89.77 1.03 1.0924 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.