Brushite
Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E
Physics and Chemistry of Minerals 31 (2004) 606-624
The role of hydrogen bonding in the thermal expansion and dehydration
of brushite, di-calcium phosphate dihydrate
Sample: T = 100 K
_database_code_amcsd 0008890
CELL PARAMETERS: 5.8007 15.1267 6.1887 90.000 116.419 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 486.319
Density (g/cm3): 2.350
MAX. ABS. INTENSITY / VOLUME**2: 10.10170332
RIR: 1.400
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.70 100.00 7.5634 0 2 0 2
18.05 1.84 4.9132 1 1 0 2
21.06 92.05 4.2189 -1 2 1 2
23.53 6.37 3.7817 0 4 0 2
24.60 1.91 3.6182 1 3 0 2
29.44 70.65 3.0341 -1 4 1 2
29.60 4.56 3.0175 -1 1 2 2
30.71 45.55 2.9112 1 2 1 2
31.42 8.63 2.8475 -2 1 1 2
32.30 1.53 2.7712 0 0 2 1
33.75 2.83 2.6555 0 5 1 2
34.12 3.97 2.6280 -1 3 2 2
34.30 5.20 2.6143 1 5 0 2
34.47 40.33 2.6020 0 2 2 2
34.53 26.45 2.5975 2 0 0 1
35.31 4.31 2.5416 -2 0 2 1
35.61 1.04 2.5211 0 6 0 2
35.72 2.58 2.5134 -2 3 1 2
37.12 13.58 2.4222 1 4 1 2
37.33 12.90 2.4092 -2 2 2 2
39.92 3.96 2.2586 -1 6 1 2
41.86 18.91 2.1581 -1 5 2 2
42.21 16.62 2.1411 2 4 0 2
42.87 2.03 2.1094 -2 4 2 2
43.22 5.66 2.0933 -2 5 1 2
43.74 7.93 2.0697 1 1 2 2
45.03 1.69 2.0133 0 7 1 2
45.05 3.09 2.0123 2 1 1 2
45.46 5.16 1.9952 1 7 0 2
45.80 7.17 1.9811 -1 2 3 2
46.31 5.86 1.9606 -2 1 3 2
47.08 1.21 1.9302 1 3 2 2
48.12 2.24 1.8908 0 8 0 2
48.39 4.17 1.8810 -3 1 2 2
48.84 15.66 1.8649 0 6 2 2
49.13 7.22 1.8544 -3 2 1 2
49.52 1.66 1.8408 -2 3 3 2
50.45 13.42 1.8091 2 6 0 2
50.60 11.50 1.8041 -1 4 3 2
51.03 9.72 1.7899 -2 6 2 2
51.50 1.10 1.7744 -3 3 2 2
51.57 2.50 1.7722 -1 8 1 2
52.77 1.13 1.7347 0 3 3 2
53.70 9.98 1.7068 -3 4 1 2
55.58 2.73 1.6534 -3 2 3 2
56.77 3.09 1.6218 1 8 1 2
57.28 1.52 1.6084 0 9 1 2
57.64 1.04 1.5991 1 9 0 2
57.93 3.52 1.5918 -1 6 3 2
59.15 3.00 1.5619 0 8 2 2
59.81 3.10 1.5463 -3 4 3 2
59.91 1.43 1.5439 2 2 2 2
60.09 6.22 1.5397 -2 0 4 1
60.57 3.83 1.5287 2 8 0 2
61.08 3.66 1.5171 -2 8 2 2
61.46 3.22 1.5087 -2 2 4 2
64.24 2.03 1.4498 -1 10 1 2
64.25 2.14 1.4497 -4 0 2 1
64.28 4.00 1.4490 3 2 1 2
65.52 4.58 1.4247 1 4 3 2
65.57 1.40 1.4238 -4 2 2 2
66.49 1.43 1.4063 -3 6 3 2
66.53 1.13 1.4056 -4 1 1 2
67.50 1.34 1.3876 -4 1 3 2
67.61 3.03 1.3856 0 0 4 1
68.19 3.08 1.3753 3 4 1 2
68.83 5.21 1.3639 1 10 1 2
69.96 1.12 1.3447 -3 8 1 2
70.42 4.54 1.3370 2 6 2 2
70.56 1.12 1.3347 0 11 1 2
70.89 1.07 1.3294 1 11 0 2
71.85 1.90 1.3140 -2 6 4 2
72.68 1.53 1.3010 0 4 4 2
72.83 3.00 1.2987 4 0 0 1
74.07 2.19 1.2800 4 2 0 2
74.47 1.26 1.2740 3 6 1 2
75.31 1.81 1.2619 -3 8 3 2
75.68 1.81 1.2567 -4 6 2 2
78.11 1.04 1.2235 -1 12 1 2
78.55 2.55 1.2177 -1 10 3 2
78.82 1.92 1.2143 0 6 4 2
79.07 2.58 1.2111 2 8 2 2
80.42 1.58 1.1942 -3 2 5 2
80.50 1.65 1.1931 1 8 3 2
81.05 2.03 1.1865 -3 10 1 2
81.29 2.46 1.1836 -1 2 5 2
83.78 1.65 1.1545 4 6 0 2
84.02 1.72 1.1519 -3 4 5 2
84.15 1.08 1.1505 -4 -8 2 2
84.42 1.62 1.1474 0 12 2 2
84.89 1.73 1.1424 -1 4 5 2
85.59 3.40 1.1348 -4 6 4 2
86.10 2.44 1.1293 -2 12 2 2
86.19 3.66 1.1284 -3 10 3 2
87.22 1.83 1.1176 0 8 4 2
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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.