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 = 4.2 K
_database_code_amcsd 0008880
CELL PARAMETERS: 5.7990 15.1254 6.1840 90.000 116.429 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 485.724
Density (g/cm3): 2.353
MAX. ABS. INTENSITY / VOLUME**2: 10.09418699
RIR: 1.397
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.70 100.00 7.5627 0 2 0 2
18.06 1.81 4.9115 1 1 0 2
21.06 92.76 4.2174 -1 2 1 2
23.53 6.27 3.7813 0 4 0 2
24.61 1.83 3.6173 1 3 0 2
29.45 71.10 3.0335 -1 4 1 2
29.63 4.58 3.0154 -1 1 2 2
30.73 45.34 2.9095 1 2 1 2
31.43 8.82 2.8467 -2 1 1 2
32.33 1.55 2.7688 0 0 2 1
33.76 2.85 2.6548 0 5 1 2
34.14 3.85 2.6266 -1 3 2 2
34.31 5.43 2.6139 1 5 0 2
34.50 40.95 2.6001 0 2 2 2
34.54 26.77 2.5965 2 0 0 1
35.33 4.36 2.5404 -2 0 2 1
35.61 1.06 2.5209 0 6 0 2
35.73 2.63 2.5128 -2 3 1 2
37.13 13.78 2.4212 1 4 1 2
37.34 12.98 2.4082 -2 2 2 2
39.92 4.04 2.2582 -1 6 1 2
41.88 19.10 2.1572 -1 5 2 2
42.22 16.65 2.1405 2 4 0 2
42.89 2.11 2.1087 -2 4 2 2
43.23 5.84 2.0929 -2 5 1 2
43.77 8.01 2.0681 1 1 2 2
45.04 1.66 2.0130 0 7 1 2
45.08 3.17 2.0112 2 1 1 2
45.47 5.38 1.9950 1 7 0 2
45.84 7.28 1.9796 -1 2 3 2
46.34 5.99 1.9594 -2 1 3 2
47.11 1.26 1.9289 1 3 2 2
48.13 2.30 1.8907 0 8 0 2
48.41 4.19 1.8804 -3 1 2 2
48.86 15.76 1.8640 0 6 2 2
49.15 7.29 1.8538 -3 2 1 2
49.55 1.68 1.8398 -2 3 3 2
50.46 13.62 1.8087 2 6 0 2
50.63 11.64 1.8029 -1 4 3 2
51.04 9.82 1.7894 -2 6 2 2
51.52 1.17 1.7739 -3 3 2 2
51.58 2.47 1.7720 -1 8 1 2
52.81 1.14 1.7334 0 3 3 2
53.32 1.03 1.7183 1 5 2 2
53.72 10.13 1.7064 -3 4 1 2
55.61 2.80 1.6527 -3 2 3 2
56.78 3.18 1.6214 1 8 1 2
57.29 1.53 1.6082 0 9 1 2
57.65 1.08 1.5990 1 9 0 2
57.97 3.61 1.5910 -1 6 3 2
59.17 3.02 1.5614 0 8 2 2
59.84 3.13 1.5457 -3 4 3 2
59.95 1.48 1.5429 2 2 2 2
60.14 6.31 1.5386 -2 0 4 1
60.58 3.96 1.5284 2 8 0 2
61.10 3.71 1.5167 -2 8 2 2
61.50 3.25 1.5077 -2 2 4 2
61.79 1.02 1.5014 1 7 2 2
64.25 2.07 1.4497 -1 10 1 2
64.27 2.19 1.4492 -4 0 2 1
64.32 4.04 1.4484 3 2 1 2
65.57 4.66 1.4237 1 4 3 2
65.59 1.45 1.4233 -4 2 2 2
66.51 1.49 1.4058 -3 6 3 2
66.55 1.19 1.4051 -4 1 1 2
67.53 1.41 1.3871 -4 1 3 2
67.68 3.12 1.3844 0 0 4 1
68.22 3.14 1.3747 3 4 1 2
68.85 5.32 1.3637 1 10 1 2
69.98 1.14 1.3445 -3 8 1 2
70.46 4.68 1.3364 2 6 2 2
70.57 1.17 1.3345 0 11 1 2
70.90 1.06 1.3292 1 11 0 2
71.89 1.95 1.3133 -2 6 4 2
72.74 1.54 1.3000 0 4 4 2
72.86 3.06 1.2982 4 0 0 1
74.10 2.22 1.2795 4 2 0 2
74.51 1.32 1.2735 3 6 1 2
75.34 1.86 1.2615 -3 8 3 2
75.70 1.83 1.2564 -4 6 2 2
78.12 1.08 1.2234 -1 12 1 2
78.59 2.61 1.2173 -1 10 3 2
78.88 1.96 1.2135 0 6 4 2
79.11 2.63 1.2106 2 8 2 2
80.48 1.59 1.1934 -3 2 5 2
80.48 1.03 1.1934 -2 8 4 2
80.55 1.67 1.1925 1 8 3 2
81.06 2.09 1.1863 -3 10 1 2
81.37 2.51 1.1826 -1 2 5 2
83.82 1.70 1.1542 4 6 0 2
84.08 1.76 1.1512 -3 4 5 2
84.17 1.09 1.1502 -4 -8 2 2
84.45 1.71 1.1472 0 12 2 2
84.97 1.77 1.1415 -1 4 5 2
85.63 3.50 1.1344 -4 6 4 2
86.12 2.55 1.1291 -2 12 2 2
86.21 3.76 1.1281 -3 10 3 2
87.29 1.90 1.1170 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.