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 = 325 K
_database_code_amcsd 0008899
CELL PARAMETERS: 5.8119 15.1867 6.2416 90.000 116.405 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 493.432
Density (g/cm3): 2.316
MAX. ABS. INTENSITY / VOLUME**2: 10.08339433
RIR: 1.418
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.65 100.00 7.5933 0 2 0 2
18.01 1.96 4.9243 1 1 0 2
20.96 91.22 4.2379 -1 2 1 2
23.43 5.95 3.7967 0 4 0 2
24.53 1.69 3.6292 1 3 0 2
29.31 68.91 3.0470 -1 4 1 2
29.37 4.05 3.0415 -1 1 2 2
30.55 46.61 2.9259 1 2 1 2
31.35 7.47 2.8534 -2 1 1 2
32.02 1.67 2.7952 0 0 2 1
33.58 2.69 2.6689 0 5 1 2
33.87 3.97 2.6464 -1 3 2 2
34.18 5.15 2.6234 1 5 0 2
34.18 37.85 2.6231 0 2 2 2
34.46 24.37 2.6028 2 0 0 1
35.14 4.11 2.5536 -2 0 2 1
35.47 1.28 2.5311 0 6 0 2
35.63 2.46 2.5197 -2 3 1 2
36.94 12.81 2.4337 1 4 1 2
37.15 12.45 2.4204 -2 2 2 2
39.75 3.51 2.2679 -1 6 1 2
41.60 17.85 2.1710 -1 5 2 2
42.09 15.94 2.1468 2 4 0 2
42.67 1.71 2.1189 -2 4 2 2
43.09 4.91 2.0994 -2 5 1 2
43.43 7.64 2.0835 1 1 2 2
44.81 1.34 2.0226 0 7 1 2
44.87 2.67 2.0200 2 1 1 2
45.28 4.67 2.0026 1 7 0 2
45.40 6.38 1.9979 -1 2 3 2
45.97 4.90 1.9743 -2 1 3 2
47.92 2.10 1.8983 0 8 0 2
48.25 4.04 1.8862 -3 1 2 2
48.52 14.41 1.8762 0 6 2 2
49.04 6.89 1.8577 -3 2 1 2
49.17 1.65 1.8530 -2 3 3 2
50.18 11.55 1.8180 -1 4 3 2
50.28 13.02 1.8146 2 6 0 2
50.79 9.24 1.7977 -2 6 2 2
51.35 2.41 1.7794 -1 8 1 2
52.31 1.23 1.7488 0 3 3 2
53.58 9.12 1.7104 -3 4 1 2
55.30 2.38 1.6612 -3 2 3 2
56.50 3.02 1.6287 1 8 1 2
57.01 1.39 1.6154 0 9 1 2
57.50 3.19 1.6028 -1 6 3 2
58.80 3.04 1.5704 0 8 2 2
59.51 3.13 1.5534 -3 4 3 2
59.56 5.92 1.5522 -2 0 4 1
59.57 1.23 1.5519 2 2 2 2
60.35 3.50 1.5337 2 8 0 2
60.80 3.61 1.5235 -2 8 2 2
60.92 3.16 1.5207 -2 2 4 2
63.96 2.02 1.4557 -1 10 1 2
64.05 3.79 1.4538 3 2 1 2
64.11 1.91 1.4526 -4 0 2 1
65.01 4.36 1.4345 1 4 3 2
65.41 1.31 1.4267 -4 2 2 2
66.15 1.18 1.4126 -3 6 3 2
66.95 2.55 1.3976 0 0 4 1
67.25 1.04 1.3921 -4 1 3 2
67.93 2.93 1.3799 3 4 1 2
68.51 4.75 1.3697 1 10 1 2
69.74 1.03 1.3485 -3 8 1 2
70.03 3.95 1.3436 2 6 2 2
71.27 1.76 1.3232 -2 6 4 2
72.00 1.37 1.3116 0 4 4 2
72.65 2.78 1.3014 4 0 0 1
73.89 2.02 1.2827 4 2 0 2
74.93 1.64 1.2674 -3 8 3 2
75.46 1.76 1.2599 -4 6 2 2
78.03 2.31 1.2246 -1 10 3 2
78.12 1.96 1.2235 0 6 4 2
78.62 2.47 1.2168 2 8 2 2
79.71 1.63 1.2030 -3 2 5 2
79.92 1.39 1.2003 1 8 3 2
80.42 2.38 1.1941 -1 2 5 2
80.75 1.89 1.1901 -3 10 1 2
83.29 1.52 1.1601 -3 4 5 2
83.53 1.44 1.1574 4 6 0 2
83.93 1.48 1.1529 0 12 2 2
84.00 1.50 1.1521 -1 4 5 2
85.10 2.96 1.1400 -4 6 4 2
85.66 2.09 1.1339 -2 12 2 2
85.73 3.19 1.1333 -3 10 3 2
86.47 1.57 1.1255 0 8 4 2
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.