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 = 50 K
_database_code_amcsd 0008885
CELL PARAMETERS: 5.7992 15.1256 6.1844 90.000 116.426 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 485.790
Density (g/cm3): 2.353
MAX. ABS. INTENSITY / VOLUME**2: 10.08248370
RIR: 1.395
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 1.79 4.9118 1 1 0 2
21.06 92.85 4.2176 -1 2 1 2
23.53 6.27 3.7814 0 4 0 2
24.61 1.82 3.6175 1 3 0 2
29.44 71.08 3.0335 -1 4 1 2
29.62 4.59 3.0155 -1 1 2 2
30.73 45.42 2.9097 1 2 1 2
31.42 8.77 2.8468 -2 1 1 2
32.33 1.54 2.7691 0 0 2 1
33.76 2.81 2.6549 0 5 1 2
34.13 3.86 2.6267 -1 3 2 2
34.31 5.44 2.6140 1 5 0 2
34.49 40.91 2.6003 0 2 2 2
34.54 26.77 2.5966 2 0 0 1
35.33 4.32 2.5405 -2 0 2 1
35.61 1.05 2.5209 0 6 0 2
35.73 2.61 2.5129 -2 3 1 2
37.13 13.75 2.4213 1 4 1 2
37.34 13.01 2.4083 -2 2 2 2
39.92 4.04 2.2583 -1 6 1 2
41.88 18.96 2.1573 -1 5 2 2
42.22 16.67 2.1405 2 4 0 2
42.89 2.06 2.1088 -2 4 2 2
43.23 5.88 2.0929 -2 5 1 2
43.77 8.04 2.0683 1 1 2 2
45.04 1.63 2.0130 0 7 1 2
45.07 3.13 2.0114 2 1 1 2
45.46 5.39 1.9950 1 7 0 2
45.84 7.22 1.9797 -1 2 3 2
46.33 5.98 1.9595 -2 1 3 2
47.11 1.27 1.9291 1 3 2 2
48.13 2.29 1.8907 0 8 0 2
48.41 4.22 1.8804 -3 1 2 2
48.86 15.75 1.8641 0 6 2 2
49.14 7.32 1.8539 -3 2 1 2
49.54 1.71 1.8399 -2 3 3 2
50.46 13.56 1.8087 2 6 0 2
50.63 11.62 1.8030 -1 4 3 2
51.04 9.83 1.7894 -2 6 2 2
51.52 1.15 1.7739 -3 3 2 2
51.58 2.47 1.7720 -1 8 1 2
52.81 1.16 1.7335 0 3 3 2
53.31 1.00 1.7184 1 5 2 2
53.71 10.09 1.7065 -3 4 1 2
55.61 2.75 1.6527 -3 2 3 2
56.78 3.16 1.6214 1 8 1 2
57.29 1.51 1.6082 0 9 1 2
57.65 1.08 1.5990 1 9 0 2
57.96 3.61 1.5911 -1 6 3 2
59.17 3.02 1.5614 0 8 2 2
59.83 3.13 1.5457 -3 4 3 2
59.95 1.47 1.5430 2 2 2 2
60.14 6.28 1.5387 -2 0 4 1
60.58 3.93 1.5284 2 8 0 2
61.10 3.73 1.5168 -2 8 2 2
61.50 3.24 1.5078 -2 2 4 2
61.79 1.01 1.5015 1 7 2 2
64.25 2.07 1.4497 -1 10 1 2
64.27 2.17 1.4493 -4 0 2 1
64.31 4.03 1.4485 3 2 1 2
65.56 4.63 1.4238 1 4 3 2
65.59 1.44 1.4234 -4 2 2 2
66.51 1.49 1.4059 -3 6 3 2
66.55 1.18 1.4052 -4 1 1 2
67.53 1.40 1.3872 -4 1 3 2
67.67 3.09 1.3845 0 0 4 1
68.22 3.13 1.3748 3 4 1 2
68.85 5.30 1.3637 1 10 1 2
69.97 1.13 1.3445 -3 8 1 2
70.46 4.65 1.3365 2 6 2 2
70.57 1.17 1.3345 0 11 1 2
70.90 1.04 1.3292 1 11 0 2
71.89 1.93 1.3134 -2 6 4 2
72.73 1.54 1.3001 0 4 4 2
72.85 3.06 1.2983 4 0 0 1
74.09 2.21 1.2796 4 2 0 2
74.50 1.31 1.2736 3 6 1 2
75.34 1.85 1.2615 -3 8 3 2
75.70 1.84 1.2565 -4 6 2 2
78.12 1.07 1.2234 -1 12 1 2
78.58 2.60 1.2174 -1 10 3 2
78.88 1.94 1.2136 0 6 4 2
79.10 2.63 1.2107 2 8 2 2
80.47 1.60 1.1935 -3 2 5 2
80.48 1.02 1.1934 -2 8 4 2
80.54 1.67 1.1926 1 8 3 2
81.06 2.08 1.1863 -3 10 1 2
81.36 2.50 1.1827 -1 2 5 2
83.81 1.68 1.1542 4 6 0 2
84.08 1.74 1.1512 -3 4 5 2
84.17 1.09 1.1502 -4 -8 2 2
84.44 1.69 1.1472 0 12 2 2
84.96 1.75 1.1416 -1 4 5 2
85.62 3.48 1.1344 -4 6 4 2
86.12 2.53 1.1291 -2 12 2 2
86.21 3.75 1.1282 -3 10 3 2
87.28 1.88 1.1171 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.