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 = 80 K
_database_code_amcsd 0008888
CELL PARAMETERS: 5.8000 15.1256 6.1866 90.000 116.422 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 486.047
Density (g/cm3): 2.351
MAX. ABS. INTENSITY / VOLUME**2: 10.09704061
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 7.5628 0 2 0 2
18.06 1.85 4.9126 1 1 0 2
21.06 92.10 4.2182 -1 2 1 2
23.53 6.27 3.7814 0 4 0 2
24.61 1.86 3.6178 1 3 0 2
29.44 70.90 3.0337 -1 4 1 2
29.61 4.53 3.0165 -1 1 2 2
30.72 45.43 2.9105 1 2 1 2
31.42 8.62 2.8472 -2 1 1 2
32.32 1.55 2.7702 0 0 2 1
33.76 2.85 2.6551 0 5 1 2
34.13 3.90 2.6274 -1 3 2 2
34.30 5.33 2.6141 1 5 0 2
34.48 40.79 2.6012 0 2 2 2
34.54 26.69 2.5971 2 0 0 1
35.32 4.33 2.5410 -2 0 2 1
35.61 1.06 2.5209 0 6 0 2
35.73 2.62 2.5132 -2 3 1 2
37.12 13.78 2.4218 1 4 1 2
37.33 12.91 2.4087 -2 2 2 2
39.92 3.99 2.2584 -1 6 1 2
41.87 18.90 2.1577 -1 5 2 2
42.21 16.58 2.1408 2 4 0 2
42.88 2.05 2.1091 -2 4 2 2
43.22 5.75 2.0931 -2 5 1 2
43.75 7.92 2.0690 1 1 2 2
45.03 1.65 2.0131 0 7 1 2
45.06 3.08 2.0119 2 1 1 2
45.46 5.30 1.9951 1 7 0 2
45.82 7.25 1.9804 -1 2 3 2
46.32 5.93 1.9601 -2 1 3 2
47.10 1.24 1.9296 1 3 2 2
48.13 2.28 1.8907 0 8 0 2
48.40 4.20 1.8807 -3 1 2 2
48.85 15.63 1.8645 0 6 2 2
49.14 7.25 1.8542 -3 2 1 2
49.53 1.69 1.8404 -2 3 3 2
50.45 13.52 1.8089 2 6 0 2
50.61 11.51 1.8036 -1 4 3 2
51.03 9.73 1.7896 -2 6 2 2
51.51 1.13 1.7742 -3 3 2 2
51.58 2.49 1.7720 -1 8 1 2
52.79 1.13 1.7341 0 3 3 2
53.30 1.01 1.7188 1 5 2 2
53.71 10.01 1.7067 -3 4 1 2
55.60 2.75 1.6531 -3 2 3 2
56.77 3.13 1.6216 1 8 1 2
57.29 1.49 1.6083 0 9 1 2
57.65 1.07 1.5990 1 9 0 2
57.95 3.56 1.5914 -1 6 3 2
59.16 2.99 1.5616 0 8 2 2
59.82 3.13 1.5460 -3 4 3 2
59.93 1.45 1.5435 2 2 2 2
60.11 6.25 1.5392 -2 0 4 1
60.58 3.90 1.5285 2 8 0 2
61.09 3.71 1.5169 -2 8 2 2
61.48 3.23 1.5083 -2 2 4 2
64.25 2.06 1.4497 -1 10 1 2
64.26 2.14 1.4495 -4 0 2 1
64.30 4.02 1.4488 3 2 1 2
65.54 4.59 1.4242 1 4 3 2
65.58 1.41 1.4236 -4 2 2 2
66.50 1.45 1.4061 -3 6 3 2
66.53 1.13 1.4054 -4 1 1 2
67.51 1.37 1.3874 -4 1 3 2
67.64 3.08 1.3851 0 0 4 1
68.20 3.13 1.3751 3 4 1 2
68.84 5.24 1.3638 1 10 1 2
69.97 1.12 1.3446 -3 8 1 2
70.44 4.63 1.3367 2 6 2 2
70.57 1.14 1.3346 0 11 1 2
70.90 1.03 1.3293 1 11 0 2
71.87 1.93 1.3137 -2 6 4 2
72.70 1.53 1.3006 0 4 4 2
72.84 3.03 1.2985 4 0 0 1
74.08 2.19 1.2798 4 2 0 2
74.49 1.27 1.2738 3 6 1 2
75.33 1.83 1.2617 -3 8 3 2
75.69 1.82 1.2566 -4 6 2 2
78.12 1.06 1.2234 -1 12 1 2
78.57 2.58 1.2175 -1 10 3 2
78.85 1.93 1.2139 0 6 4 2
79.09 2.61 1.2109 2 8 2 2
80.44 1.58 1.1938 -3 2 5 2
80.52 1.65 1.1929 1 8 3 2
81.05 2.07 1.1864 -3 10 1 2
81.32 2.47 1.1831 -1 2 5 2
83.80 1.68 1.1544 4 6 0 2
84.05 1.73 1.1516 -3 4 5 2
84.16 1.09 1.1503 -4 -8 2 2
84.44 1.67 1.1473 0 12 2 2
84.92 1.76 1.1420 -1 4 5 2
85.61 3.44 1.1346 -4 6 4 2
86.11 2.49 1.1292 -2 12 2 2
86.20 3.68 1.1283 -3 10 3 2
87.25 1.86 1.1173 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.