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 = 175 K
_database_code_amcsd 0008893
CELL PARAMETERS: 5.8040 15.1361 6.2006 90.000 116.414 90.000
SPACE GROUP: Ia
X-RAY WAVELENGTH: 1.541838
Cell Volume: 487.855
Density (g/cm3): 2.343
MAX. ABS. INTENSITY / VOLUME**2: 9.894371776
RIR: 1.375
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.69 100.00 7.5680 0 2 0 2
18.04 1.95 4.9162 1 1 0 2
21.04 94.50 4.2230 -1 2 1 2
23.51 6.96 3.7840 0 4 0 2
24.59 2.06 3.6204 1 3 0 2
29.41 70.76 3.0365 -1 4 1 2
29.55 4.55 3.0229 -1 1 2 2
30.67 47.20 2.9146 1 2 1 2
31.40 8.46 2.8492 -2 1 1 2
32.24 1.57 2.7766 0 0 2 1
33.72 2.88 2.6580 0 5 1 2
34.06 4.26 2.6320 -1 3 2 2
34.28 4.91 2.6159 1 5 0 2
34.40 40.13 2.6067 0 2 2 2
34.51 26.45 2.5990 2 0 0 1
35.27 4.35 2.5445 -2 0 2 1
35.59 1.09 2.5227 0 6 0 2
35.70 2.58 2.5149 -2 3 1 2
37.08 13.53 2.4247 1 4 1 2
37.28 12.80 2.4118 -2 2 2 2
39.89 3.79 2.2602 -1 6 1 2
41.81 19.31 2.1607 -1 5 2 2
42.18 17.29 2.1424 2 4 0 2
42.83 2.05 2.1115 -2 4 2 2
43.19 5.36 2.0945 -2 5 1 2
43.67 7.98 2.0729 1 1 2 2
44.99 1.80 2.0149 0 7 1 2
45.01 3.04 2.0143 2 1 1 2
45.43 4.98 1.9965 1 7 0 2
45.71 7.14 1.9848 -1 2 3 2
46.23 5.80 1.9638 -2 1 3 2
47.01 1.10 1.9330 1 3 2 2
48.09 2.09 1.8920 0 8 0 2
48.35 4.22 1.8823 -3 1 2 2
48.77 15.82 1.8671 0 6 2 2
49.10 7.39 1.8553 -3 2 1 2
49.44 1.70 1.8436 -2 3 3 2
50.41 13.62 1.8102 2 6 0 2
50.50 11.59 1.8071 -1 4 3 2
50.98 9.92 1.7915 -2 6 2 2
51.46 1.04 1.7757 -3 3 2 2
51.53 2.73 1.7734 -1 8 1 2
52.67 1.17 1.7378 0 3 3 2
53.67 9.79 1.7078 -3 4 1 2
55.52 2.70 1.6552 -3 2 3 2
56.72 3.27 1.6230 1 8 1 2
57.23 1.54 1.6096 0 9 1 2
57.84 3.31 1.5941 -1 6 3 2
59.08 2.87 1.5635 0 8 2 2
59.74 3.14 1.5479 -3 4 3 2
59.83 1.37 1.5458 2 2 2 2
59.97 6.25 1.5425 -2 0 4 1
60.53 3.64 1.5296 2 8 0 2
61.03 3.57 1.5183 -2 8 2 2
61.34 3.23 1.5114 -2 2 4 2
61.68 1.01 1.5037 1 7 2 2
64.20 2.02 1.4508 -1 10 1 2
64.21 2.11 1.4505 -4 0 2 1
64.22 4.03 1.4503 3 2 1 2
65.41 4.56 1.4269 1 4 3 2
65.52 1.37 1.4246 -4 2 2 2
66.41 1.30 1.4077 -3 6 3 2
66.49 1.05 1.4063 -4 1 1 2
67.44 1.29 1.3888 -4 1 3 2
67.46 2.93 1.3883 0 0 4 1
68.12 3.09 1.3764 3 4 1 2
68.78 5.12 1.3649 1 10 1 2
69.92 1.18 1.3455 -3 8 1 2
70.33 4.51 1.3385 2 6 2 2
70.51 1.06 1.3356 0 11 1 2
70.84 1.12 1.3302 1 11 0 2
71.72 1.89 1.3160 -2 6 4 2
72.52 1.57 1.3034 0 4 4 2
72.77 3.01 1.2995 4 0 0 1
74.01 2.14 1.2808 4 2 0 2
74.40 1.13 1.2750 3 6 1 2
75.23 1.89 1.2630 -3 8 3 2
75.62 1.85 1.2575 -4 6 2 2
78.45 2.48 1.2191 -1 10 3 2
78.67 1.96 1.2163 0 6 4 2
78.97 2.51 1.2123 2 8 2 2
80.25 1.63 1.1962 -3 2 5 2
80.38 1.69 1.1947 1 8 3 2
80.99 2.01 1.1872 -3 10 1 2
81.09 2.50 1.1859 -1 2 5 2
83.72 1.61 1.1552 4 6 0 2
83.86 1.66 1.1537 -3 4 5 2
84.09 1.02 1.1511 -4 -8 2 2
84.33 1.65 1.1484 0 12 2 2
84.69 1.66 1.1445 -1 4 5 2
85.48 3.36 1.1359 -4 6 4 2
86.03 2.44 1.1301 -2 12 2 2
86.10 3.55 1.1294 -3 10 3 2
87.06 1.72 1.1193 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.