Talmessite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060369 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: 5.8930 6.9700 5.5890 97.310 109.170 107.850 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 1.443 Co 0.00000 0.00000 0.00000 0.350 1.443 As 0.33410 0.24600 0.67030 1.000 0.433 O 0.34200 0.12720 0.92170 1.000 1.110 O 0.23850 0.05040 0.39860 1.000 1.184 O 0.15500 0.39160 0.64120 1.000 1.091 O 0.63950 0.38640 0.71490 1.000 1.348 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: 14.66588465 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.80 16.15 6.4178 0 1 0 17.16 6.79 5.1672 1 0 0 17.37 23.04 5.1067 0 0 1 17.58 33.52 5.0437 -1 1 0 19.10 21.77 4.6471 -1 0 1 19.27 7.40 4.6050 0 -1 1 22.43 16.03 3.9643 -1 1 1 24.79 33.77 3.5912 -1 -1 1 24.88 33.05 3.5784 0 1 1 25.85 4.97 3.4472 1 1 0 26.70 33.73 3.3385 -1 2 0 27.00 9.14 3.3026 1 -1 1 27.80 59.26 3.2089 0 2 0 28.87 26.07 3.0931 0 -2 1 28.97 100.00 3.0818 1 0 1 31.51 2.87 2.8389 -2 1 1 31.84 52.12 2.8102 1 -2 1 32.17 72.72 2.7824 -2 0 1 32.18 9.08 2.7816 -2 1 0 32.21 31.02 2.7787 -1 2 1 32.51 61.19 2.7539 -1 0 2 34.35 21.70 2.6106 0 -1 2 34.72 13.81 2.5836 2 0 0 35.15 2.32 2.5533 0 0 2 35.60 1.08 2.5219 -2 2 0 35.61 10.02 2.5211 -1 -2 1 36.46 2.66 2.4645 -1 1 2 36.66 1.36 2.4515 0 2 1 36.79 17.42 2.4431 -2 2 1 38.12 1.94 2.3609 1 2 0 38.49 13.92 2.3387 -2 -1 1 39.13 3.58 2.3021 -1 3 0 41.58 26.79 2.1722 -1 -2 2 42.25 1.24 2.1393 0 3 0 42.29 3.97 2.1372 2 1 0 42.76 2.43 2.1146 2 -2 1 43.77 16.69 2.0682 -2 3 0 44.40 9.30 2.0403 1 -2 2 44.76 10.70 2.0246 -1 3 1 44.96 16.34 2.0162 -1 2 2 45.07 1.10 2.0115 2 0 1 45.78 4.03 1.9821 -2 2 2 46.24 1.12 1.9633 -3 1 1 47.98 21.46 1.8960 1 2 1 48.19 4.74 1.8883 -3 2 1 48.61 14.87 1.8731 -2 -2 1 49.43 1.23 1.8440 -3 1 0 49.43 2.77 1.8440 -1 0 3 49.92 9.95 1.8268 -3 2 0 50.68 9.22 1.8011 1 -3 2 50.85 4.24 1.7956 -2 -2 2 51.05 11.25 1.7892 0 2 2 51.14 2.71 1.7860 -3 0 2 51.53 2.57 1.7734 -2 0 3 51.97 1.76 1.7596 0 -1 3 51.99 1.68 1.7589 1 3 0 52.35 1.83 1.7475 1 1 2 53.14 7.28 1.7236 2 2 0 53.18 18.09 1.7224 3 0 0 53.25 9.66 1.7202 -3 2 2 53.48 3.68 1.7132 -2 -1 3 53.61 15.75 1.7095 1 -4 1 53.62 2.06 1.7091 -1 1 3 53.70 7.46 1.7069 -1 -2 3 53.86 21.18 1.7022 0 0 3 54.22 9.34 1.6917 0 -2 3 55.01 1.44 1.6692 -2 4 0 55.66 5.44 1.6513 2 -2 2 55.90 1.30 1.6447 2 -1 2 56.27 5.34 1.6349 -3 -1 2 57.43 8.50 1.6045 0 4 0 58.01 4.50 1.5900 3 -2 1 58.37 14.34 1.5809 -2 4 1 58.80 1.15 1.5705 3 -1 1 59.31 5.78 1.5580 -2 -2 3 59.69 4.94 1.5490 -3 0 3 59.81 3.77 1.5463 -2 2 3 60.04 7.59 1.5409 2 0 2 60.19 5.92 1.5375 -3 3 2 60.46 1.24 1.5312 1 -1 3 60.77 1.64 1.5241 1 -2 3 61.06 5.82 1.5176 3 -3 1 61.45 2.61 1.5090 -1 2 3 61.93 1.97 1.4983 -2 -3 2 62.56 2.94 1.4847 1 2 2 62.78 4.06 1.4801 -3 4 0 63.41 2.02 1.4669 0 3 2 63.42 1.68 1.4667 2 2 1 63.68 5.18 1.4613 -4 2 1 63.79 5.23 1.4592 -4 1 1 63.97 1.74 1.4553 -3 2 3 64.81 4.44 1.4385 -3 -2 2 65.04 8.61 1.4341 -1 -4 2 65.22 1.06 1.4305 0 4 1 65.79 2.53 1.4195 -4 2 2 66.55 12.02 1.4051 2 -4 2 67.21 4.35 1.3928 -4 3 1 67.30 4.52 1.3912 -4 0 2 67.33 1.55 1.3908 -4 2 0 67.39 2.34 1.3896 -1 -1 4 67.40 1.76 1.3893 -2 4 2 67.52 1.62 1.3873 -4 0 1 68.09 5.99 1.3770 -2 0 4 68.41 1.35 1.3713 -2 -3 3 68.47 1.75 1.3703 -2 5 0 68.50 2.09 1.3697 -1 0 4 68.62 1.61 1.3676 -2 -1 4 68.65 2.38 1.3671 0 2 3 69.10 2.62 1.3594 -2 3 3 69.59 6.21 1.3509 0 -4 3 69.83 1.66 1.3469 -1 -2 4 70.06 5.31 1.3431 -1 4 2 70.15 5.36 1.3416 -3 -2 3 70.22 1.91 1.3403 -3 4 2 71.09 3.98 1.3260 3 2 0 71.25 2.80 1.3235 3 1 1 72.40 1.32 1.3053 0 -2 4 72.62 1.32 1.3019 1 -5 2 72.65 2.22 1.3014 -2 -2 4 74.13 1.56 1.2791 -4 4 1 74.29 1.26 1.2767 0 0 4 74.51 2.27 1.2734 2 -3 3 74.62 1.27 1.2719 -4 -1 1 74.64 1.12 1.2715 -1 5 1 75.81 6.16 1.2548 -2 -4 1 76.32 2.37 1.2477 4 -2 1 76.53 5.82 1.2448 1 4 1 76.62 2.18 1.2436 2 3 1 76.80 1.09 1.2411 2 -5 2 77.36 1.39 1.2335 3 -5 1 77.46 1.41 1.2322 -2 2 4 78.24 4.17 1.2218 2 2 2 78.26 2.77 1.2216 -4 4 2 79.16 2.12 1.2100 -3 2 4 80.16 1.68 1.1974 1 -2 4 80.95 1.29 1.1877 1 -1 4 80.95 1.61 1.1876 -1 2 4 81.21 1.11 1.1846 -2 4 3 81.71 1.71 1.1785 0 -5 3 81.83 2.58 1.1771 -3 4 3 81.94 2.41 1.1757 4 -4 1 82.16 1.22 1.1732 3 2 1 82.49 1.08 1.1694 -4 -2 2 83.00 1.40 1.1634 -3 5 2 83.15 1.39 1.1618 -4 0 4 84.15 2.55 1.1504 4 0 1 85.07 3.05 1.1404 1 0 4 85.98 2.00 1.1305 -4 2 4 88.37 2.16 1.1061 3 -2 3 88.57 2.63 1.1041 1 -4 4 88.73 1.11 1.1026 2 -5 3 89.53 1.03 1.0947 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.