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 = 250 K
_database_code_amcsd 0008896
CELL PARAMETERS: 5.8077 15.1563 6.2186 90.000 116.408 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 490.262
Density (g/cm3): 2.331
MAX. ABS. INTENSITY / VOLUME**2: 10.16313028
RIR: 1.420
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.68 100.00 7.5781 0 2 0 2
18.03 1.88 4.9200 1 1 0 2
21.00 90.53 4.2294 -1 2 1 2
23.48 6.11 3.7891 0 4 0 2
24.56 1.86 3.6241 1 3 0 2
29.37 68.68 3.0409 -1 4 1 2
29.47 4.35 3.0310 -1 1 2 2
30.62 45.70 2.9197 1 2 1 2
31.38 7.87 2.8511 -2 1 1 2
32.14 1.59 2.7848 0 0 2 1
33.66 2.69 2.6625 0 5 1 2
33.98 4.00 2.6382 -1 3 2 2
34.24 4.86 2.6190 1 5 0 2
34.31 38.49 2.6139 0 2 2 2
34.48 25.04 2.6008 2 0 0 1
35.22 4.05 2.5485 -2 0 2 1
35.54 1.09 2.5260 0 6 0 2
35.67 2.46 2.5170 -2 3 1 2
37.02 13.00 2.4286 1 4 1 2
37.22 12.57 2.4156 -2 2 2 2
39.83 3.71 2.2633 -1 6 1 2
41.72 18.21 2.1651 -1 5 2 2
42.14 16.01 2.1443 2 4 0 2
42.76 1.77 2.1147 -2 4 2 2
43.15 5.04 2.0966 -2 5 1 2
43.56 7.67 2.0777 1 1 2 2
44.92 1.53 2.0181 0 7 1 2
44.94 2.82 2.0169 2 1 1 2
45.37 4.66 1.9989 1 7 0 2
45.57 6.51 1.9905 -1 2 3 2
46.11 5.25 1.9684 -2 1 3 2
46.90 1.01 1.9371 1 3 2 2
48.02 2.17 1.8945 0 8 0 2
48.31 3.98 1.8841 -3 1 2 2
48.67 14.78 1.8710 0 6 2 2
49.07 6.93 1.8564 -3 2 1 2
49.32 1.66 1.8477 -2 3 3 2
50.36 12.79 1.8120 2 6 0 2
50.36 11.44 1.8118 -1 4 3 2
50.90 9.36 1.7941 -2 6 2 2
51.46 2.41 1.7758 -1 8 1 2
52.51 1.16 1.7426 0 3 3 2
53.63 9.44 1.7090 -3 4 1 2
55.42 2.48 1.6579 -3 2 3 2
56.63 2.89 1.6254 1 8 1 2
57.14 1.43 1.6120 0 9 1 2
57.69 3.31 1.5978 -1 6 3 2
58.96 3.00 1.5664 0 8 2 2
59.64 3.05 1.5503 -3 4 3 2
59.71 1.30 1.5486 2 2 2 2
59.79 5.96 1.5468 -2 0 4 1
60.45 3.60 1.5313 2 8 0 2
60.93 3.58 1.5204 -2 8 2 2
61.15 3.14 1.5155 -2 2 4 2
64.10 2.00 1.4528 -1 10 1 2
64.14 3.81 1.4519 3 2 1 2
64.16 1.98 1.4515 -4 0 2 1
65.23 4.40 1.4303 1 4 3 2
65.47 1.33 1.4256 -4 2 2 2
66.30 1.27 1.4098 -3 6 3 2
67.24 2.67 1.3924 0 0 4 1
67.35 1.14 1.3903 -4 1 3 2
68.04 2.93 1.3780 3 4 1 2
68.67 4.82 1.3669 1 10 1 2
70.20 4.09 1.3407 2 6 2 2
71.52 1.74 1.3191 -2 6 4 2
72.29 1.39 1.3070 0 4 4 2
72.72 2.82 1.3004 4 0 0 1
73.95 2.07 1.2817 4 2 0 2
74.30 1.10 1.2765 3 6 1 2
75.10 1.63 1.2649 -3 8 3 2
75.55 1.75 1.2585 -4 6 2 2
78.27 2.33 1.2214 -1 10 3 2
78.42 1.88 1.2194 0 6 4 2
78.82 2.50 1.2143 2 8 2 2
80.01 1.57 1.1992 -3 2 5 2
80.18 1.43 1.1971 1 8 3 2
80.80 2.38 1.1895 -1 2 5 2
80.89 1.86 1.1884 -3 10 1 2
83.61 1.56 1.1565 -3 4 5 2
83.64 1.47 1.1562 4 6 0 2
83.99 1.00 1.1522 -4 -8 2 2
84.17 1.44 1.1503 0 12 2 2
84.39 1.53 1.1478 -1 4 5 2
85.31 3.05 1.1377 -4 6 4 2
85.88 2.10 1.1317 -2 12 2 2
85.94 3.28 1.1310 -3 10 3 2
86.80 1.64 1.1220 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.