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 = 150 K
_database_code_amcsd 0008892
CELL PARAMETERS: 5.8026 15.1314 6.1956 90.000 116.416 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 487.184
Density (g/cm3): 2.346
MAX. ABS. INTENSITY / VOLUME**2: 10.10817735
RIR: 1.403
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.70 100.00 7.5657 0 2 0 2
18.05 1.85 4.9150 1 1 0 2
21.05 91.46 4.2212 -1 2 1 2
23.52 6.30 3.7829 0 4 0 2
24.60 1.89 3.6194 1 3 0 2
29.43 70.08 3.0354 -1 4 1 2
29.57 4.47 3.0206 -1 1 2 2
30.69 45.67 2.9131 1 2 1 2
31.41 8.45 2.8485 -2 1 1 2
32.27 1.52 2.7744 0 0 2 1
33.74 2.79 2.6568 0 5 1 2
34.09 3.99 2.6303 -1 3 2 2
34.29 5.11 2.6152 1 5 0 2
34.43 39.97 2.6047 0 2 2 2
34.52 26.08 2.5984 2 0 0 1
35.29 4.35 2.5432 -2 0 2 1
35.60 1.03 2.5219 0 6 0 2
35.71 2.52 2.5143 -2 3 1 2
37.09 13.68 2.4236 1 4 1 2
37.30 12.76 2.4107 -2 2 2 2
39.90 3.96 2.2594 -1 6 1 2
41.83 18.63 2.1595 -1 5 2 2
42.19 16.49 2.1418 2 4 0 2
42.85 1.98 2.1106 -2 4 2 2
43.21 5.54 2.0939 -2 5 1 2
43.70 7.89 2.0715 1 1 2 2
45.01 1.60 2.0142 0 7 1 2
45.03 2.93 2.0134 2 1 1 2
45.44 5.06 1.9959 1 7 0 2
45.75 7.04 1.9832 -1 2 3 2
46.26 5.74 1.9624 -2 1 3 2
47.04 1.19 1.9318 1 3 2 2
48.11 2.20 1.8914 0 8 0 2
48.37 4.20 1.8818 -3 1 2 2
48.80 15.44 1.8661 0 6 2 2
49.12 7.19 1.8549 -3 2 1 2
49.47 1.67 1.8424 -2 3 3 2
50.43 13.33 1.8097 2 6 0 2
50.54 11.39 1.8058 -1 4 3 2
51.00 9.62 1.7907 -2 6 2 2
51.48 1.07 1.7751 -3 3 2 2
51.55 2.49 1.7728 -1 8 1 2
52.71 1.14 1.7365 0 3 3 2
53.68 9.70 1.7073 -3 4 1 2
55.55 2.66 1.6545 -3 2 3 2
56.74 3.01 1.6224 1 8 1 2
57.26 1.46 1.6090 0 9 1 2
57.62 1.02 1.5996 1 9 0 2
57.88 3.48 1.5931 -1 6 3 2
59.11 3.00 1.5628 0 8 2 2
59.77 3.15 1.5472 -3 4 3 2
59.86 1.40 1.5450 2 2 2 2
60.02 6.14 1.5413 -2 0 4 1
60.55 3.79 1.5292 2 8 0 2
61.05 3.69 1.5177 -2 8 2 2
61.39 3.22 1.5103 -2 2 4 2
64.22 2.04 1.4503 -1 10 1 2
64.23 2.09 1.4502 -4 0 2 1
64.25 3.92 1.4498 3 2 1 2
65.45 4.50 1.4260 1 4 3 2
65.54 1.39 1.4242 -4 2 2 2
66.45 1.36 1.4071 -3 6 3 2
66.50 1.08 1.4060 -4 1 1 2
67.46 1.27 1.3883 -4 1 3 2
67.52 2.92 1.3872 0 0 4 1
68.15 3.09 1.3760 3 4 1 2
68.80 5.09 1.3645 1 10 1 2
69.94 1.09 1.3451 -3 8 1 2
70.37 4.44 1.3379 2 6 2 2
70.54 1.10 1.3352 0 11 1 2
70.86 1.03 1.3298 1 11 0 2
71.77 1.86 1.3151 -2 6 4 2
72.59 1.49 1.3024 0 4 4 2
72.80 2.98 1.2992 4 0 0 1
74.04 2.15 1.2804 4 2 0 2
74.43 1.19 1.2746 3 6 1 2
75.27 1.77 1.2625 -3 8 3 2
75.65 1.79 1.2571 -4 6 2 2
78.08 1.02 1.2239 -1 12 1 2
78.50 2.50 1.2185 -1 10 3 2
78.73 1.91 1.2154 0 6 4 2
79.01 2.55 1.2118 2 8 2 2
80.32 1.57 1.1953 -3 2 5 2
80.43 1.59 1.1940 1 8 3 2
81.02 2.02 1.1868 -3 10 1 2
81.17 2.42 1.1849 -1 2 5 2
83.75 1.58 1.1549 4 6 0 2
83.93 1.67 1.1529 -3 4 5 2
84.12 1.05 1.1508 -4 -8 2 2
84.38 1.58 1.1479 0 12 2 2
84.77 1.69 1.1436 -1 4 5 2
85.52 3.33 1.1354 -4 6 4 2
86.06 2.36 1.1297 -2 12 2 2
86.14 3.54 1.1289 -3 10 3 2
87.13 1.78 1.1186 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.