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 = 70 K
_database_code_amcsd 0008887
CELL PARAMETERS: 5.7997 15.1257 6.1857 90.000 116.425 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 485.941
Density (g/cm3): 2.352
MAX. ABS. INTENSITY / VOLUME**2: 10.11036972
RIR: 1.400
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.70 100.00 7.5628 0 2 0 2
18.06 1.81 4.9122 1 1 0 2
21.06 91.93 4.2180 -1 2 1 2
23.53 6.18 3.7814 0 4 0 2
24.61 1.83 3.6176 1 3 0 2
29.44 70.75 3.0337 -1 4 1 2
29.62 4.61 3.0161 -1 1 2 2
30.72 45.36 2.9101 1 2 1 2
31.42 8.64 2.8470 -2 1 1 2
32.32 1.51 2.7697 0 0 2 1
33.76 2.81 2.6550 0 5 1 2
34.13 3.91 2.6271 -1 3 2 2
34.30 5.39 2.6140 1 5 0 2
34.49 40.75 2.6008 0 2 2 2
34.54 26.68 2.5969 2 0 0 1
35.33 4.31 2.5408 -2 0 2 1
35.61 1.03 2.5210 0 6 0 2
35.73 2.60 2.5131 -2 3 1 2
37.13 13.79 2.4216 1 4 1 2
37.33 12.99 2.4086 -2 2 2 2
39.92 4.02 2.2583 -1 6 1 2
41.87 18.93 2.1575 -1 5 2 2
42.22 16.56 2.1407 2 4 0 2
42.88 2.03 2.1090 -2 4 2 2
43.23 5.79 2.0930 -2 5 1 2
43.76 7.97 2.0687 1 1 2 2
45.03 1.61 2.0131 0 7 1 2
45.07 3.08 2.0116 2 1 1 2
45.46 5.36 1.9950 1 7 0 2
45.83 7.18 1.9801 -1 2 3 2
46.33 5.94 1.9599 -2 1 3 2
47.10 1.26 1.9294 1 3 2 2
48.13 2.26 1.8907 0 8 0 2
48.40 4.20 1.8806 -3 1 2 2
48.85 15.62 1.8643 0 6 2 2
49.14 7.28 1.8541 -3 2 1 2
49.53 1.71 1.8402 -2 3 3 2
50.45 13.54 1.8088 2 6 0 2
50.62 11.49 1.8033 -1 4 3 2
51.03 9.73 1.7896 -2 6 2 2
51.51 1.13 1.7741 -3 3 2 2
51.58 2.47 1.7720 -1 8 1 2
52.80 1.13 1.7339 0 3 3 2
53.71 10.02 1.7066 -3 4 1 2
55.60 2.73 1.6529 -3 2 3 2
56.78 3.10 1.6215 1 8 1 2
57.29 1.50 1.6082 0 9 1 2
57.65 1.08 1.5990 1 9 0 2
57.95 3.58 1.5913 -1 6 3 2
59.17 3.01 1.5616 0 8 2 2
59.83 3.14 1.5459 -3 4 3 2
59.94 1.46 1.5433 2 2 2 2
60.12 6.25 1.5390 -2 0 4 1
60.58 3.91 1.5285 2 8 0 2
61.09 3.72 1.5168 -2 8 2 2
61.49 3.22 1.5081 -2 2 4 2
61.78 1.02 1.5016 1 7 2 2
64.25 2.06 1.4497 -1 10 1 2
64.27 2.13 1.4494 -4 0 2 1
64.30 4.00 1.4486 3 2 1 2
65.55 4.61 1.4240 1 4 3 2
65.58 1.43 1.4235 -4 2 2 2
66.50 1.47 1.4060 -3 6 3 2
66.54 1.14 1.4053 -4 1 1 2
67.52 1.39 1.3873 -4 1 3 2
67.65 3.08 1.3849 0 0 4 1
68.21 3.14 1.3749 3 4 1 2
68.85 5.25 1.3638 1 10 1 2
69.97 1.11 1.3445 -3 8 1 2
70.45 4.61 1.3366 2 6 2 2
70.57 1.16 1.3346 0 11 1 2
70.90 1.03 1.3293 1 11 0 2
71.87 1.90 1.3135 -2 6 4 2
72.72 1.52 1.3004 0 4 4 2
72.84 3.05 1.2984 4 0 0 1
74.09 2.19 1.2797 4 2 0 2
74.49 1.29 1.2737 3 6 1 2
75.33 1.82 1.2616 -3 8 3 2
75.69 1.82 1.2565 -4 6 2 2
78.12 1.07 1.2234 -1 12 1 2
78.57 2.58 1.2175 -1 10 3 2
78.86 1.93 1.2138 0 6 4 2
79.09 2.61 1.2108 2 8 2 2
80.46 1.58 1.1937 -3 2 5 2
80.47 1.00 1.1936 -2 8 4 2
80.53 1.64 1.1927 1 8 3 2
81.06 2.07 1.1864 -3 10 1 2
81.34 2.47 1.1830 -1 2 5 2
83.80 1.66 1.1543 4 6 0 2
84.06 1.72 1.1514 -3 4 5 2
84.16 1.09 1.1503 -4 -8 2 2
84.44 1.67 1.1473 0 12 2 2
84.94 1.75 1.1418 -1 4 5 2
85.61 3.43 1.1345 -4 6 4 2
86.12 2.50 1.1292 -2 12 2 2
86.20 3.70 1.1282 -3 10 3 2
87.27 1.87 1.1172 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.