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 = 400 K
_database_code_amcsd 0008902
CELL PARAMETERS: 5.8151 15.2179 6.2664 90.000 116.413 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 496.649
Density (g/cm3): 2.301
MAX. ABS. INTENSITY / VOLUME**2: 10.18378846
RIR: 1.441
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.63 100.00 7.6090 0 2 0 2
18.00 2.04 4.9275 1 1 0 2
20.92 89.92 4.2467 -1 2 1 2
23.38 5.98 3.8045 0 4 0 2
24.50 1.39 3.6338 1 3 0 2
29.25 67.14 3.0533 -1 4 1 2
29.25 4.23 3.0528 -1 1 2 2
30.49 47.09 2.9320 1 2 1 2
31.33 6.95 2.8553 -2 1 1 2
31.89 1.79 2.8061 0 0 2 1
33.49 2.39 2.6755 0 5 1 2
33.76 3.94 2.6551 -1 3 2 2
34.05 36.23 2.6328 0 2 2 2
34.12 5.04 2.6278 1 5 0 2
34.44 22.76 2.6040 2 0 0 1
35.07 3.93 2.5590 -2 0 2 1
35.39 1.24 2.5363 0 6 0 2
35.60 2.28 2.5221 -2 3 1 2
36.86 12.17 2.4387 1 4 1 2
37.07 11.99 2.4255 -2 2 2 2
39.66 3.26 2.2726 -1 6 1 2
41.47 16.73 2.1773 -1 5 2 2
42.05 15.56 2.1489 2 4 0 2
42.58 1.57 2.1233 -2 4 2 2
43.03 4.81 2.1021 -2 5 1 2
43.30 7.40 2.0894 1 1 2 2
44.70 1.02 2.0272 0 7 1 2
44.81 2.44 2.0227 2 1 1 2
45.20 4.50 2.0062 1 7 0 2
45.21 5.67 2.0058 -1 2 3 2
45.81 4.58 1.9807 -2 1 3 2
47.82 1.82 1.9022 0 8 0 2
48.20 3.77 1.8882 -3 1 2 2
48.37 13.62 1.8816 0 6 2 2
49.01 1.83 1.8587 -2 3 3 2
49.01 6.74 1.8585 -3 2 1 2
49.99 11.28 1.8246 -1 4 3 2
50.21 12.79 1.8169 2 6 0 2
50.68 8.82 1.8014 -2 6 2 2
51.23 2.29 1.7831 -1 8 1 2
52.11 1.23 1.7552 0 3 3 2
53.54 8.46 1.7116 -3 4 1 2
55.18 2.12 1.6646 -3 2 3 2
56.37 2.84 1.6321 1 8 1 2
56.87 1.27 1.6190 0 9 1 2
57.30 3.08 1.6080 -1 6 3 2
58.63 3.14 1.5746 0 8 2 2
59.31 5.49 1.5580 -2 0 4 1
59.37 2.98 1.5566 -3 4 3 2
59.44 1.03 1.5551 2 2 2 2
60.25 3.25 1.5360 2 8 0 2
60.66 3.55 1.5266 -2 8 2 2
60.67 3.03 1.5264 -2 2 4 2
63.81 1.91 1.4587 -1 10 1 2
63.97 3.52 1.4553 3 2 1 2
64.07 1.76 1.4534 -4 0 2 1
64.79 4.16 1.4389 1 4 3 2
65.37 1.17 1.4276 -4 2 2 2
66.00 1.11 1.4156 -3 6 3 2
66.66 2.25 1.4031 0 0 4 1
67.84 2.86 1.3815 3 4 1 2
68.35 4.47 1.3725 1 10 1 2
69.86 3.68 1.3464 2 6 2 2
71.00 1.58 1.3276 -2 6 4 2
71.69 1.28 1.3164 0 4 4 2
72.61 2.57 1.3020 4 0 0 1
73.84 1.92 1.2834 4 2 0 2
74.75 1.48 1.2700 -3 8 3 2
75.37 1.70 1.2611 -4 6 2 2
77.77 2.19 1.2280 -1 10 3 2
77.79 1.91 1.2277 0 6 4 2
78.43 2.53 1.2194 2 8 2 2
79.38 1.56 1.2072 -3 2 5 2
79.66 1.29 1.2036 1 8 3 2
80.03 2.31 1.1989 -1 2 5 2
80.61 1.78 1.1918 -3 10 1 2
82.95 1.38 1.1640 -3 4 5 2
83.45 1.33 1.1583 4 6 0 2
83.60 1.36 1.1566 -1 4 5 2
83.69 1.41 1.1556 0 12 2 2
84.89 2.67 1.1424 -4 6 4 2
85.45 1.90 1.1363 -2 12 2 2
85.51 2.95 1.1356 -3 10 3 2
86.12 1.42 1.1291 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.