Haidingerite Ferraris G, Jones D W, Yerkess J Acta Crystallographica B28 (1972) 209-214 A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haidingerite) Sample: X-ray refinement Locality: synthetic _database_code_amcsd 0009421 CELL PARAMETERS: 6.9040 16.1610 7.9350 90.000 90.000 90.000 SPACE GROUP: Pcnb X-RAY WAVELENGTH: 1.541838 Cell Volume: 885.352 Density (g/cm3): 2.988 MAX. ABS. INTENSITY / VOLUME**2: 22.00392993 RIR: 2.398 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.95 78.00 8.0805 0 2 0 2 16.89 37.67 5.2490 1 2 0 4 17.02 25.14 5.2085 1 0 1 4 22.00 31.94 4.0402 0 4 0 2 22.41 11.14 3.9675 0 0 2 2 23.08 26.26 3.8531 0 1 2 4 25.00 1.66 3.5614 0 2 2 4 26.49 4.09 3.3646 1 1 2 8 27.93 27.64 3.1946 0 3 2 4 27.95 35.34 3.1924 1 4 1 8 28.19 20.94 3.1651 1 2 2 8 28.74 20.45 3.1064 2 1 1 8 30.33 100.00 2.9474 2 2 1 8 30.84 10.07 2.8993 1 3 2 8 31.61 17.87 2.8308 0 4 2 4 32.60 1.40 2.7464 1 5 1 8 33.26 2.19 2.6935 0 6 0 2 34.16 2.40 2.6245 2 4 0 4 34.24 26.13 2.6192 1 4 2 8 34.44 1.32 2.6042 2 0 2 4 34.90 3.11 2.5711 2 1 2 8 35.78 6.68 2.5093 1 6 0 4 35.83 6.69 2.5059 0 5 2 4 36.24 1.78 2.4787 2 2 2 8 36.81 3.51 2.4416 1 1 3 8 37.59 9.90 2.3925 1 6 1 8 38.10 3.33 2.3621 1 2 3 8 38.21 1.00 2.3555 1 5 2 8 40.16 5.24 2.2452 1 3 3 8 42.85 5.17 2.1107 1 7 1 8 43.46 3.62 2.0820 2 1 3 8 44.15 11.76 2.0514 2 6 1 8 44.59 1.96 2.0321 2 2 3 8 46.10 1.08 1.9690 0 1 4 4 46.42 4.32 1.9562 2 3 3 8 46.85 5.23 1.9391 3 4 1 8 46.86 5.51 1.9388 1 8 0 4 47.01 3.67 1.9329 3 2 2 8 48.05 17.45 1.8935 1 1 4 8 48.32 5.80 1.8834 1 8 1 8 48.89 1.78 1.8630 2 4 3 8 48.93 1.68 1.8615 0 3 4 4 49.99 4.42 1.8245 3 5 1 8 50.11 1.33 1.8204 1 6 3 8 50.71 3.80 1.8002 0 8 2 4 51.15 3.47 1.7857 3 4 2 8 51.93 8.96 1.7607 2 5 3 8 52.29 8.50 1.7497 3 6 0 4 52.72 1.54 1.7362 3 0 3 4 53.05 3.09 1.7262 3 1 3 8 53.06 5.37 1.7260 4 0 0 2 53.12 1.30 1.7243 1 4 4 8 53.64 2.72 1.7086 3 6 1 8 53.84 1.36 1.7029 2 8 1 8 54.02 1.87 1.6976 1 9 1 8 54.02 2.10 1.6974 3 2 3 8 54.11 2.27 1.6950 3 5 2 8 54.26 2.55 1.6907 0 5 4 4 54.35 1.23 1.6879 4 2 0 4 54.40 2.44 1.6866 1 7 3 8 55.49 6.52 1.6559 2 6 3 8 55.62 4.12 1.6525 3 3 3 8 56.00 4.32 1.6422 1 5 4 8 57.75 2.49 1.5966 3 7 1 8 57.93 3.80 1.5918 1 9 2 8 58.12 3.25 1.5872 4 4 0 4 58.30 1.97 1.5827 4 0 2 4 58.60 1.14 1.5752 4 1 2 8 58.67 1.55 1.5736 1 10 0 4 59.79 1.10 1.5467 1 0 5 4 59.93 4.57 1.5435 1 10 1 8 60.09 1.99 1.5396 1 1 5 8 61.02 5.05 1.5185 4 3 2 8 61.03 1.86 1.5182 3 8 0 4 61.64 5.39 1.5046 0 7 4 4 62.01 1.34 1.4967 0 10 2 4 62.03 4.79 1.4961 3 1 4 8 62.26 2.22 1.4911 3 8 1 8 62.47 3.25 1.4866 1 3 5 8 63.08 5.50 1.4737 4 4 2 8 63.61 1.21 1.4627 1 10 2 8 63.78 1.48 1.4593 3 6 3 8 63.95 1.29 1.4557 2 8 3 8 64.93 1.32 1.4362 2 1 5 8 65.87 1.23 1.4179 3 8 2 8 67.21 1.86 1.3929 2 3 5 8 67.50 2.15 1.3876 3 7 3 8 68.05 1.01 1.3778 0 11 2 4 68.79 4.87 1.3646 2 9 3 8 68.92 1.97 1.3625 3 5 4 8 70.65 1.50 1.3334 3 9 2 8 71.35 1.93 1.3218 1 12 0 4 71.67 4.47 1.3168 2 5 5 8 72.45 3.37 1.3046 3 10 1 8 72.88 1.06 1.2979 4 1 4 8 73.73 1.32 1.2850 1 7 5 8 73.77 2.59 1.2844 0 3 6 4 73.90 1.59 1.2824 1 2 6 8 74.66 1.07 1.2712 2 6 5 8 74.77 1.74 1.2697 3 3 5 8 75.05 1.06 1.2657 4 3 4 8 75.26 1.12 1.2627 1 11 3 8 76.45 1.25 1.2459 4 8 2 8 76.94 1.44 1.2393 2 12 1 8 77.72 1.03 1.2287 5 6 0 4 79.21 1.45 1.2094 5 5 2 8 79.33 1.15 1.2078 4 5 4 8 79.53 1.02 1.2052 1 5 6 8 80.46 1.20 1.1936 5 3 3 8 81.53 1.80 1.1806 0 11 4 4 82.12 1.09 1.1736 2 8 5 8 85.11 1.01 1.1399 5 8 0 4 85.38 1.06 1.1370 3 7 5 8 85.48 1.42 1.1359 6 1 1 8 85.64 4.27 1.1342 4 7 4 8 85.96 1.37 1.1308 4 10 2 8 85.99 1.37 1.1305 5 1 4 8 86.26 2.89 1.1276 6 2 1 8 86.58 3.13 1.1243 2 9 5 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.