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 = 200 K
_database_code_amcsd 0008894
CELL PARAMETERS: 5.8053 15.1420 6.2060 90.000 116.413 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 488.584
Density (g/cm3): 2.339
MAX. ABS. INTENSITY / VOLUME**2: 10.18738612
RIR: 1.418
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.69 100.00 7.5710 0 2 0 2
18.04 1.89 4.9175 1 1 0 2
21.03 90.75 4.2250 -1 2 1 2
23.50 6.15 3.7855 0 4 0 2
24.58 1.87 3.6215 1 3 0 2
29.40 69.06 3.0379 -1 4 1 2
29.53 4.57 3.0253 -1 1 2 2
30.66 45.39 2.9161 1 2 1 2
31.39 8.17 2.8498 -2 1 1 2
32.21 1.54 2.7791 0 0 2 1
33.70 2.65 2.6593 0 5 1 2
34.04 3.91 2.6338 -1 3 2 2
34.27 4.99 2.6169 1 5 0 2
34.37 39.05 2.6089 0 2 2 2
34.50 25.49 2.5996 2 0 0 1
35.26 4.17 2.5457 -2 0 2 1
35.57 1.03 2.5237 0 6 0 2
35.69 2.43 2.5156 -2 3 1 2
37.06 13.27 2.4258 1 4 1 2
37.26 12.69 2.4130 -2 2 2 2
39.87 3.83 2.2611 -1 6 1 2
41.78 18.26 2.1620 -1 5 2 2
42.17 16.14 2.1430 2 4 0 2
42.81 1.82 2.1125 -2 4 2 2
43.18 5.34 2.0952 -2 5 1 2
43.63 7.77 2.0743 1 1 2 2
44.97 1.52 2.0159 0 7 1 2
44.99 2.88 2.0151 2 1 1 2
45.41 4.80 1.9972 1 7 0 2
45.67 6.68 1.9865 -1 2 3 2
46.19 5.50 1.9652 -2 1 3 2
46.98 1.10 1.9342 1 3 2 2
48.07 2.19 1.8928 0 8 0 2
48.34 4.05 1.8829 -3 1 2 2
48.74 14.99 1.8683 0 6 2 2
49.09 7.02 1.8557 -3 2 1 2
49.40 1.72 1.8448 -2 3 3 2
50.40 12.98 1.8108 2 6 0 2
50.46 11.36 1.8085 -1 4 3 2
50.95 9.44 1.7923 -2 6 2 2
51.44 1.03 1.7763 -3 3 2 2
51.51 2.42 1.7741 -1 8 1 2
52.62 1.17 1.7392 0 3 3 2
53.66 9.56 1.7082 -3 4 1 2
55.49 2.55 1.6561 -3 2 3 2
56.69 2.89 1.6237 1 8 1 2
57.21 1.43 1.6103 0 9 1 2
57.80 3.38 1.5952 -1 6 3 2
59.05 2.98 1.5644 0 8 2 2
59.71 3.05 1.5486 -3 4 3 2
59.79 1.32 1.5466 2 2 2 2
59.92 6.00 1.5438 -2 0 4 1
60.51 3.71 1.5301 2 8 0 2
61.00 3.61 1.5189 -2 8 2 2
61.28 3.15 1.5127 -2 2 4 2
64.17 2.00 1.4514 -1 10 1 2
64.19 2.02 1.4509 -4 0 2 1
64.20 3.82 1.4508 3 2 1 2
65.35 4.43 1.4279 1 4 3 2
65.51 1.34 1.4249 -4 2 2 2
66.38 1.31 1.4083 -3 6 3 2
66.47 1.00 1.4065 -4 1 1 2
67.39 2.77 1.3895 0 0 4 1
67.41 1.22 1.3893 -4 1 3 2
68.10 2.97 1.3769 3 4 1 2
68.74 4.95 1.3655 1 10 1 2
69.89 1.04 1.3459 -3 8 1 2
70.29 4.23 1.3392 2 6 2 2
70.47 1.03 1.3362 0 11 1 2
71.66 1.77 1.3169 -2 6 4 2
72.46 1.42 1.3044 0 4 4 2
72.75 2.87 1.2998 4 0 0 1
73.99 2.10 1.2811 4 2 0 2
74.37 1.15 1.2755 3 6 1 2
75.19 1.67 1.2636 -3 8 3 2
75.60 1.76 1.2578 -4 6 2 2
78.02 1.00 1.2248 -1 12 1 2
78.40 2.39 1.2198 -1 10 3 2
78.59 1.86 1.2172 0 6 4 2
78.93 2.52 1.2129 2 8 2 2
80.18 1.54 1.1971 -3 2 5 2
80.32 1.50 1.1954 1 8 3 2
80.96 1.93 1.1875 -3 10 1 2
81.00 2.37 1.1870 -1 2 5 2
83.69 1.53 1.1556 4 6 0 2
83.78 1.60 1.1546 -3 4 5 2
84.06 1.03 1.1515 -4 -8 2 2
84.29 1.48 1.1489 0 12 2 2
84.60 1.58 1.1455 -1 4 5 2
85.43 3.16 1.1365 -4 6 4 2
85.98 2.20 1.1306 -2 12 2 2
86.05 3.42 1.1299 -3 10 3 2
86.98 1.70 1.1201 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.