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
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.