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 = 275 K
_database_code_amcsd 0008897
CELL PARAMETERS: 5.8091 15.1656 6.2259 90.000 116.407 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 491.261
Density (g/cm3): 2.326
MAX. ABS. INTENSITY / VOLUME**2: 10.23814702
RIR: 1.433
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.67 100.00 7.5828 0 2 0 2
18.02 1.82 4.9214 1 1 0 2
20.99 90.11 4.2321 -1 2 1 2
23.46 5.86 3.7914 0 4 0 2
24.55 1.80 3.6257 1 3 0 2
29.35 68.01 3.0428 -1 4 1 2
29.44 4.27 3.0343 -1 1 2 2
30.60 45.52 2.9217 1 2 1 2
31.37 7.58 2.8519 -2 1 1 2
32.10 1.56 2.7881 0 0 2 1
33.64 2.70 2.6645 0 5 1 2
33.95 3.89 2.6408 -1 3 2 2
34.22 4.94 2.6204 1 5 0 2
34.27 37.86 2.6168 0 2 2 2
34.48 24.65 2.6015 2 0 0 1
35.19 4.00 2.5502 -2 0 2 1
35.52 1.12 2.5276 0 6 0 2
35.66 2.39 2.5179 -2 3 1 2
36.99 12.84 2.4302 1 4 1 2
37.20 12.47 2.4171 -2 2 2 2
39.80 3.60 2.2647 -1 6 1 2
41.68 17.99 2.1670 -1 5 2 2
42.13 15.75 2.1451 2 4 0 2
42.73 1.70 2.1160 -2 4 2 2
43.13 4.95 2.0975 -2 5 1 2
43.52 7.57 2.0795 1 1 2 2
44.88 1.45 2.0195 0 7 1 2
44.92 2.73 2.0179 2 1 1 2
45.34 4.57 2.0000 1 7 0 2
45.52 6.32 1.9929 -1 2 3 2
46.07 5.03 1.9703 -2 1 3 2
46.86 1.01 1.9388 1 3 2 2
47.99 2.12 1.8957 0 8 0 2
48.29 3.90 1.8848 -3 1 2 2
48.62 14.42 1.8726 0 6 2 2
49.06 6.86 1.8568 -3 2 1 2
49.27 1.65 1.8494 -2 3 3 2
50.31 11.37 1.8138 -1 4 3 2
50.33 12.77 1.8128 2 6 0 2
50.86 9.24 1.7952 -2 6 2 2
51.42 2.33 1.7769 -1 8 1 2
52.45 1.17 1.7446 0 3 3 2
53.61 9.27 1.7094 -3 4 1 2
55.38 2.42 1.6589 -3 2 3 2
56.59 2.84 1.6264 1 8 1 2
57.10 1.42 1.6130 0 9 1 2
57.63 3.30 1.5994 -1 6 3 2
58.91 3.02 1.5677 0 8 2 2
59.60 3.01 1.5513 -3 4 3 2
59.67 1.29 1.5496 2 2 2 2
59.72 5.88 1.5485 -2 0 4 1
60.42 3.59 1.5321 2 8 0 2
60.89 3.56 1.5214 -2 8 2 2
61.08 3.12 1.5172 -2 2 4 2
64.06 1.97 1.4537 -1 10 1 2
64.11 3.76 1.4525 3 2 1 2
64.15 1.96 1.4518 -4 0 2 1
65.16 4.37 1.4316 1 4 3 2
65.45 1.32 1.4259 -4 2 2 2
66.25 1.24 1.4107 -3 6 3 2
67.15 2.59 1.3941 0 0 4 1
67.32 1.11 1.3909 -4 1 3 2
68.00 2.95 1.3786 3 4 1 2
68.62 4.77 1.3677 1 10 1 2
70.14 3.96 1.3416 2 6 2 2
71.44 1.70 1.3204 -2 6 4 2
72.20 1.35 1.3084 0 4 4 2
72.69 2.77 1.3007 4 0 0 1
73.93 2.05 1.2820 4 2 0 2
74.26 1.06 1.2771 3 6 1 2
75.05 1.57 1.2657 -3 8 3 2
75.52 1.71 1.2589 -4 6 2 2
78.20 2.29 1.2224 -1 10 3 2
78.33 1.89 1.2207 0 6 4 2
78.76 2.49 1.2151 2 8 2 2
79.91 1.55 1.2004 -3 2 5 2
80.10 1.40 1.1981 1 8 3 2
80.68 2.37 1.1910 -1 2 5 2
80.84 1.83 1.1889 -3 10 1 2
83.51 1.55 1.1577 -3 4 5 2
83.60 1.44 1.1566 4 6 0 2
84.09 1.40 1.1511 0 12 2 2
84.26 1.51 1.1492 -1 4 5 2
85.25 2.98 1.1384 -4 6 4 2
85.81 2.02 1.1324 -2 12 2 2
85.87 3.24 1.1317 -3 10 3 2
86.70 1.63 1.1231 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.