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 = 350 K
_database_code_amcsd 0008900
CELL PARAMETERS: 5.8132 15.1973 6.2497 90.000 116.406 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 494.523
Density (g/cm3): 2.311
MAX. ABS. INTENSITY / VOLUME**2: 10.20765192
RIR: 1.438
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.65 100.00 7.5986 0 2 0 2
18.01 1.97 4.9256 1 1 0 2
20.95 89.84 4.2408 -1 2 1 2
23.41 5.90 3.7993 0 4 0 2
24.52 1.67 3.6308 1 3 0 2
29.29 67.67 3.0491 -1 4 1 2
29.33 4.18 3.0452 -1 1 2 2
30.53 46.06 2.9280 1 2 1 2
31.34 7.19 2.8541 -2 1 1 2
31.98 1.70 2.7988 0 0 2 1
33.55 2.61 2.6711 0 5 1 2
33.83 3.90 2.6493 -1 3 2 2
34.14 36.93 2.6263 0 2 2 2
34.16 4.95 2.6249 1 5 0 2
34.45 23.70 2.6033 2 0 0 1
35.12 4.06 2.5554 -2 0 2 1
35.44 1.25 2.5329 0 6 0 2
35.62 2.35 2.5206 -2 3 1 2
36.91 12.58 2.4354 1 4 1 2
37.12 12.27 2.4221 -2 2 2 2
39.72 3.54 2.2695 -1 6 1 2
41.56 17.32 2.1731 -1 5 2 2
42.07 15.49 2.1476 2 4 0 2
42.64 1.64 2.1204 -2 4 2 2
43.07 4.82 2.1004 -2 5 1 2
43.39 7.48 2.0855 1 1 2 2
44.77 1.27 2.0241 0 7 1 2
44.85 2.57 2.0210 2 1 1 2
45.25 4.49 2.0038 1 7 0 2
45.33 6.10 2.0005 -1 2 3 2
45.92 4.77 1.9764 -2 1 3 2
47.88 2.05 1.8997 0 8 0 2
48.23 3.88 1.8869 -3 1 2 2
48.47 14.01 1.8780 0 6 2 2
49.03 6.74 1.8580 -3 2 1 2
49.12 1.73 1.8549 -2 3 3 2
50.12 11.40 1.8202 -1 4 3 2
50.26 12.65 1.8154 2 6 0 2
50.75 8.89 1.7989 -2 6 2 2
51.31 2.31 1.7806 -1 8 1 2
52.25 1.21 1.7509 0 3 3 2
53.56 8.84 1.7109 -3 4 1 2
55.26 2.28 1.6623 -3 2 3 2
56.46 2.81 1.6299 1 8 1 2
56.96 1.35 1.6166 0 9 1 2
57.43 3.16 1.6045 -1 6 3 2
58.74 3.12 1.5718 0 8 2 2
59.46 3.05 1.5545 -3 4 3 2
59.48 5.70 1.5541 -2 0 4 1
59.52 1.17 1.5530 2 2 2 2
60.31 3.40 1.5346 2 8 0 2
60.75 3.56 1.5246 -2 8 2 2
60.84 3.12 1.5226 -2 2 4 2
63.91 1.97 1.4567 -1 10 1 2
64.02 3.65 1.4544 3 2 1 2
64.09 1.85 1.4529 -4 0 2 1
64.94 4.24 1.4360 1 4 3 2
65.40 1.25 1.4271 -4 2 2 2
66.10 1.15 1.4136 -3 6 3 2
66.86 2.42 1.3994 0 0 4 1
67.22 1.01 1.3927 -4 1 3 2
67.90 2.87 1.3805 3 4 1 2
68.45 4.59 1.3706 1 10 1 2
69.97 3.79 1.3446 2 6 2 2
71.18 1.69 1.3246 -2 6 4 2
71.90 1.30 1.3132 0 4 4 2
72.63 2.68 1.3017 4 0 0 1
73.87 1.98 1.2830 4 2 0 2
74.87 1.52 1.2683 -3 8 3 2
75.42 1.72 1.2603 -4 6 2 2
77.94 2.24 1.2258 -1 10 3 2
78.01 1.91 1.2249 0 6 4 2
78.56 2.48 1.2177 2 8 2 2
79.60 1.56 1.2044 -3 2 5 2
79.83 1.32 1.2014 1 8 3 2
80.30 2.32 1.1957 -1 2 5 2
80.70 1.81 1.1907 -3 10 1 2
83.18 1.46 1.1614 -3 4 5 2
83.50 1.39 1.1577 4 6 0 2
83.85 1.38 1.1538 0 12 2 2
83.87 1.44 1.1536 -1 4 5 2
85.03 2.82 1.1408 -4 6 4 2
85.59 1.96 1.1347 -2 12 2 2
85.65 3.05 1.1341 -3 10 3 2
86.35 1.51 1.1267 0 8 4 2
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.