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 = 125 K
_database_code_amcsd 0008891
CELL PARAMETERS: 5.8016 15.1284 6.1916 90.000 116.418 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 486.681
Density (g/cm3): 2.348
MAX. ABS. INTENSITY / VOLUME**2: 10.18287744
RIR: 1.412
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.70 100.00 7.5642 0 2 0 2
18.05 1.84 4.9140 1 1 0 2
21.05 90.76 4.2198 -1 2 1 2
23.52 6.12 3.7821 0 4 0 2
24.60 1.84 3.6187 1 3 0 2
29.43 70.16 3.0346 -1 4 1 2
29.59 4.53 3.0188 -1 1 2 2
30.70 45.13 2.9120 1 2 1 2
31.41 8.46 2.8479 -2 1 1 2
32.29 1.50 2.7725 0 0 2 1
33.75 2.78 2.6560 0 5 1 2
34.10 3.93 2.6290 -1 3 2 2
34.30 5.22 2.6147 1 5 0 2
34.45 39.84 2.6032 0 2 2 2
34.52 26.16 2.5979 2 0 0 1
35.30 4.32 2.5423 -2 0 2 1
35.61 1.03 2.5214 0 6 0 2
35.72 2.53 2.5138 -2 3 1 2
37.11 13.56 2.4228 1 4 1 2
37.31 12.92 2.4098 -2 2 2 2
39.91 3.99 2.2589 -1 6 1 2
41.85 18.49 2.1587 -1 5 2 2
42.20 16.22 2.1414 2 4 0 2
42.86 1.91 2.1099 -2 4 2 2
43.21 5.64 2.0936 -2 5 1 2
43.72 7.87 2.0705 1 1 2 2
45.02 1.56 2.0137 0 7 1 2
45.04 2.98 2.0128 2 1 1 2
45.45 5.12 1.9955 1 7 0 2
45.78 7.02 1.9820 -1 2 3 2
46.29 5.74 1.9614 -2 1 3 2
47.06 1.22 1.9308 1 3 2 2
48.12 2.26 1.8910 0 8 0 2
48.38 4.16 1.8813 -3 1 2 2
48.82 15.39 1.8654 0 6 2 2
49.12 7.12 1.8546 -3 2 1 2
49.50 1.68 1.8415 -2 3 3 2
50.44 13.26 1.8093 2 6 0 2
50.57 11.37 1.8048 -1 4 3 2
51.01 9.50 1.7902 -2 6 2 2
51.49 1.09 1.7747 -3 3 2 2
51.56 2.43 1.7724 -1 8 1 2
52.75 1.14 1.7354 0 3 3 2
53.69 9.86 1.7071 -3 4 1 2
55.57 2.66 1.6539 -3 2 3 2
56.76 2.98 1.6220 1 8 1 2
57.27 1.45 1.6086 0 9 1 2
57.64 1.06 1.5993 1 9 0 2
57.91 3.54 1.5923 -1 6 3 2
59.14 3.04 1.5623 0 8 2 2
59.79 3.10 1.5467 -3 4 3 2
59.89 1.42 1.5444 2 2 2 2
60.06 6.13 1.5404 -2 0 4 1
60.56 3.83 1.5289 2 8 0 2
61.07 3.69 1.5173 -2 8 2 2
61.43 3.23 1.5094 -2 2 4 2
64.24 2.03 1.4500 -1 10 1 2
64.24 2.08 1.4499 -4 0 2 1
64.27 3.94 1.4494 3 2 1 2
65.49 4.52 1.4252 1 4 3 2
65.56 1.38 1.4240 -4 2 2 2
66.47 1.40 1.4066 -3 6 3 2
66.51 1.09 1.4058 -4 1 1 2
67.48 1.30 1.3879 -4 1 3 2
67.58 2.94 1.3863 0 0 4 1
68.17 3.07 1.3756 3 4 1 2
68.82 5.13 1.3641 1 10 1 2
69.95 1.07 1.3449 -3 8 1 2
70.40 4.44 1.3374 2 6 2 2
70.55 1.11 1.3349 0 11 1 2
71.82 1.85 1.3145 -2 6 4 2
72.64 1.49 1.3016 0 4 4 2
72.81 2.95 1.2989 4 0 0 1
74.05 2.16 1.2802 4 2 0 2
74.46 1.24 1.2743 3 6 1 2
75.30 1.74 1.2621 -3 8 3 2
75.66 1.79 1.2569 -4 6 2 2
78.10 1.06 1.2236 -1 12 1 2
78.53 2.52 1.2180 -1 10 3 2
78.78 1.90 1.2148 0 6 4 2
79.05 2.58 1.2114 2 8 2 2
80.38 1.56 1.1947 -3 2 5 2
80.47 1.57 1.1935 1 8 3 2
81.03 2.02 1.1866 -3 10 1 2
81.24 2.41 1.1841 -1 2 5 2
83.77 1.62 1.1547 4 6 0 2
83.98 1.69 1.1523 -3 4 5 2
84.13 1.08 1.1506 -4 -8 2 2
84.40 1.57 1.1476 0 12 2 2
84.84 1.71 1.1429 -1 4 5 2
85.56 3.33 1.1351 -4 6 4 2
86.09 2.37 1.1295 -2 12 2 2
86.17 3.59 1.1286 -3 10 3 2
87.19 1.82 1.1180 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.