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 = 90 K
_database_code_amcsd 0008889
CELL PARAMETERS: 5.8003 15.1259 6.1873 90.000 116.422 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 486.137
Density (g/cm3): 2.351
MAX. ABS. INTENSITY / VOLUME**2: 10.09674398
RIR: 1.398
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.70 100.00 7.5630 0 2 0 2
18.06 1.81 4.9128 1 1 0 2
21.06 92.08 4.2184 -1 2 1 2
23.53 6.30 3.7815 0 4 0 2
24.61 1.84 3.6179 1 3 0 2
29.44 70.69 3.0339 -1 4 1 2
29.61 4.63 3.0168 -1 1 2 2
30.72 45.47 2.9107 1 2 1 2
31.42 8.68 2.8473 -2 1 1 2
32.31 1.53 2.7705 0 0 2 1
33.76 2.81 2.6552 0 5 1 2
34.12 3.91 2.6276 -1 3 2 2
34.30 5.33 2.6142 1 5 0 2
34.48 40.57 2.6014 0 2 2 2
34.53 26.54 2.5972 2 0 0 1
35.32 4.31 2.5412 -2 0 2 1
35.61 1.05 2.5210 0 6 0 2
35.73 2.58 2.5133 -2 3 1 2
37.12 13.69 2.4219 1 4 1 2
37.33 12.86 2.4089 -2 2 2 2
39.92 4.02 2.2584 -1 6 1 2
41.87 18.81 2.1578 -1 5 2 2
42.21 16.56 2.1409 2 4 0 2
42.88 2.06 2.1092 -2 4 2 2
43.22 5.76 2.0931 -2 5 1 2
43.75 7.98 2.0692 1 1 2 2
45.03 1.62 2.0132 0 7 1 2
45.06 3.06 2.0120 2 1 1 2
45.46 5.22 1.9951 1 7 0 2
45.81 7.16 1.9806 -1 2 3 2
46.32 5.93 1.9603 -2 1 3 2
47.09 1.24 1.9298 1 3 2 2
48.13 2.27 1.8907 0 8 0 2
48.40 4.17 1.8808 -3 1 2 2
48.84 15.63 1.8646 0 6 2 2
49.13 7.25 1.8542 -3 2 1 2
49.52 1.72 1.8405 -2 3 3 2
50.45 13.50 1.8090 2 6 0 2
50.61 11.50 1.8037 -1 4 3 2
51.03 9.74 1.7897 -2 6 2 2
51.51 1.13 1.7743 -3 3 2 2
51.57 2.50 1.7721 -1 8 1 2
52.78 1.15 1.7343 0 3 3 2
53.70 10.01 1.7067 -3 4 1 2
55.59 2.74 1.6532 -3 2 3 2
56.77 3.11 1.6216 1 8 1 2
57.28 1.48 1.6083 0 9 1 2
57.65 1.06 1.5990 1 9 0 2
57.94 3.54 1.5915 -1 6 3 2
59.16 2.99 1.5617 0 8 2 2
59.82 3.13 1.5461 -3 4 3 2
59.92 1.45 1.5436 2 2 2 2
60.11 6.20 1.5393 -2 0 4 1
60.57 3.89 1.5286 2 8 0 2
61.09 3.70 1.5169 -2 8 2 2
61.47 3.21 1.5084 -2 2 4 2
61.77 1.00 1.5018 1 7 2 2
64.25 2.06 1.4497 -1 10 1 2
64.26 2.16 1.4496 -4 0 2 1
64.29 4.01 1.4489 3 2 1 2
65.54 4.58 1.4244 1 4 3 2
65.57 1.43 1.4237 -4 2 2 2
66.49 1.44 1.4061 -3 6 3 2
66.53 1.15 1.4055 -4 1 1 2
67.51 1.36 1.3875 -4 1 3 2
67.63 3.03 1.3852 0 0 4 1
68.20 3.11 1.3751 3 4 1 2
68.84 5.23 1.3638 1 10 1 2
69.97 1.11 1.3446 -3 8 1 2
70.43 4.57 1.3368 2 6 2 2
70.57 1.16 1.3346 0 11 1 2
70.89 1.03 1.3293 1 11 0 2
71.86 1.91 1.3138 -2 6 4 2
72.70 1.51 1.3007 0 4 4 2
72.83 3.01 1.2986 4 0 0 1
74.08 2.19 1.2799 4 2 0 2
74.48 1.27 1.2739 3 6 1 2
75.32 1.82 1.2617 -3 8 3 2
75.68 1.81 1.2566 -4 6 2 2
78.12 1.05 1.2234 -1 12 1 2
78.57 2.56 1.2176 -1 10 3 2
78.84 1.91 1.2140 0 6 4 2
79.08 2.59 1.2110 2 8 2 2
80.43 1.57 1.1940 -3 2 5 2
80.52 1.64 1.1929 1 8 3 2
81.05 2.06 1.1864 -3 10 1 2
81.31 2.45 1.1833 -1 2 5 2
83.79 1.66 1.1544 4 6 0 2
84.04 1.71 1.1517 -3 4 5 2
84.16 1.08 1.1504 -4 -8 2 2
84.43 1.65 1.1473 0 12 2 2
84.91 1.72 1.1421 -1 4 5 2
85.60 3.42 1.1347 -4 6 4 2
86.11 2.47 1.1292 -2 12 2 2
86.20 3.67 1.1283 -3 10 3 2
87.24 1.84 1.1174 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.