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: neutron refinement Locality: synthetic _database_code_amcsd 0009420 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): 2.971 MAX. ABS. INTENSITY / VOLUME**2: 20.56128497 RIR: 2.254 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.95 79.58 8.0805 0 2 0 2 16.89 45.50 5.2490 1 2 0 4 17.02 28.69 5.2085 1 0 1 4 22.00 30.92 4.0402 0 4 0 2 22.41 9.33 3.9675 0 0 2 2 23.08 27.47 3.8531 0 1 2 4 25.00 1.35 3.5614 0 2 2 4 26.49 5.35 3.3646 1 1 2 8 27.93 29.64 3.1946 0 3 2 4 27.95 40.88 3.1924 1 4 1 8 28.19 23.18 3.1651 1 2 2 8 28.74 22.96 3.1064 2 1 1 8 30.33 100.00 2.9474 2 2 1 8 30.84 11.51 2.8993 1 3 2 8 31.61 17.30 2.8308 0 4 2 4 32.60 2.03 2.7464 1 5 1 8 33.26 2.49 2.6935 0 6 0 2 34.16 2.75 2.6245 2 4 0 4 34.24 26.44 2.6192 1 4 2 8 34.44 1.24 2.6042 2 0 2 4 34.90 3.52 2.5711 2 1 2 8 35.78 7.29 2.5093 1 6 0 4 35.83 7.48 2.5059 0 5 2 4 36.04 1.65 2.4917 2 4 1 8 36.24 1.87 2.4787 2 2 2 8 36.81 4.11 2.4416 1 1 3 8 37.59 9.05 2.3925 1 6 1 8 38.10 3.69 2.3621 1 2 3 8 38.21 1.20 2.3555 1 5 2 8 40.16 5.60 2.2452 1 3 3 8 42.85 5.82 2.1107 1 7 1 8 43.46 3.89 2.0820 2 1 3 8 44.15 11.37 2.0514 2 6 1 8 44.59 1.23 2.0321 2 2 3 8 46.10 1.18 1.9690 0 1 4 4 46.42 5.17 1.9562 2 3 3 8 46.85 6.40 1.9391 3 4 1 8 46.86 5.22 1.9388 1 8 0 4 47.01 4.85 1.9329 3 2 2 8 48.05 18.78 1.8935 1 1 4 8 48.32 6.00 1.8834 1 8 1 8 48.77 1.00 1.8673 3 3 2 8 48.89 1.64 1.8630 2 4 3 8 48.93 1.92 1.8615 0 3 4 4 49.99 4.84 1.8245 3 5 1 8 50.11 1.12 1.8204 1 6 3 8 50.71 4.40 1.8002 0 8 2 4 51.15 3.13 1.7857 3 4 2 8 51.93 9.60 1.7607 2 5 3 8 52.29 9.01 1.7497 3 6 0 4 52.72 1.87 1.7362 3 0 3 4 53.05 3.36 1.7262 3 1 3 8 53.06 5.50 1.7260 4 0 0 2 53.12 1.00 1.7243 1 4 4 8 53.64 2.41 1.7086 3 6 1 8 53.84 2.16 1.7029 2 8 1 8 54.02 1.84 1.6976 1 9 1 8 54.02 2.27 1.6974 3 2 3 8 54.11 2.78 1.6950 3 5 2 8 54.26 2.64 1.6907 0 5 4 4 54.35 1.56 1.6879 4 2 0 4 54.40 2.74 1.6866 1 7 3 8 55.49 7.55 1.6559 2 6 3 8 55.62 4.17 1.6525 3 3 3 8 56.00 4.46 1.6422 1 5 4 8 57.75 2.92 1.5966 3 7 1 8 57.93 4.04 1.5918 1 9 2 8 58.12 2.95 1.5872 4 4 0 4 58.30 1.71 1.5827 4 0 2 4 58.60 1.48 1.5752 4 1 2 8 58.67 1.28 1.5736 1 10 0 4 59.79 1.11 1.5467 1 0 5 4 59.93 4.84 1.5435 1 10 1 8 60.09 2.03 1.5396 1 1 5 8 61.02 5.75 1.5185 4 3 2 8 61.03 2.25 1.5182 3 8 0 4 61.64 6.04 1.5046 0 7 4 4 62.01 1.74 1.4967 0 10 2 4 62.03 5.17 1.4961 3 1 4 8 62.26 2.19 1.4911 3 8 1 8 62.47 3.75 1.4866 1 3 5 8 63.08 5.57 1.4737 4 4 2 8 63.61 1.26 1.4627 1 10 2 8 63.78 1.24 1.4593 3 6 3 8 63.95 1.86 1.4557 2 8 3 8 64.77 1.15 1.4394 2 10 1 8 64.93 1.13 1.4362 2 1 5 8 65.87 1.00 1.4179 3 8 2 8 67.21 2.10 1.3929 2 3 5 8 67.50 2.37 1.3876 3 7 3 8 68.05 1.24 1.3778 0 11 2 4 68.79 5.35 1.3646 2 9 3 8 68.92 2.00 1.3625 3 5 4 8 70.65 1.81 1.3334 3 9 2 8 71.35 2.14 1.3218 1 12 0 4 71.67 4.87 1.3168 2 5 5 8 72.45 3.49 1.3046 3 10 1 8 72.88 1.10 1.2979 4 1 4 8 73.57 1.19 1.2874 5 2 2 8 73.73 1.39 1.2850 1 7 5 8 73.77 2.62 1.2844 0 3 6 4 73.90 1.68 1.2824 1 2 6 8 74.66 1.39 1.2712 2 6 5 8 74.77 1.90 1.2697 3 3 5 8 75.05 1.04 1.2657 4 3 4 8 75.26 1.18 1.2627 1 11 3 8 76.45 1.50 1.2459 4 8 2 8 76.94 1.63 1.2393 2 12 1 8 77.72 1.18 1.2287 5 6 0 4 79.21 1.35 1.2094 5 5 2 8 79.33 1.43 1.2078 4 5 4 8 79.53 1.10 1.2052 1 5 6 8 80.46 1.47 1.1936 5 3 3 8 81.53 1.86 1.1806 0 11 4 4 82.12 1.11 1.1736 2 8 5 8 83.56 1.14 1.1571 2 13 1 8 85.38 1.15 1.1370 3 7 5 8 85.48 1.57 1.1359 6 1 1 8 85.54 1.04 1.1353 3 2 6 8 85.64 4.90 1.1342 4 7 4 8 85.96 1.69 1.1308 4 10 2 8 85.99 1.72 1.1305 5 1 4 8 86.26 2.98 1.1276 6 2 1 8 86.58 3.57 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.