Ettringite
Moore A, Taylor H F W
Nature 218 (1968) 1048-1049
Crystal structure of ettringite
Locality: Scawt Hill, Northern Ireland
_database_code_amcsd 0014674
CELL PARAMETERS: 11.2300 11.2300 10.7200 90.000 90.000 120.000
SPACE GROUP: P6_3/mcm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1170.806
Density (g/cm3): 1.814
MAX. ABS. INTENSITY / VOLUME**2: 8.159744957
RIR: 1.465
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.09 100.00 9.7255 1 0 0 6
15.78 38.79 5.6150 1 1 0 6
16.54 1.17 5.3600 0 0 2 2
17.83 15.56 4.9740 1 1 1 12
18.24 5.41 4.8627 2 0 0 6
18.90 24.49 4.6943 1 0 2 12
22.94 41.71 3.8771 1 1 2 12
24.21 2.24 3.6759 2 1 0 12
24.72 11.20 3.6015 2 0 2 12
25.62 20.87 3.4771 2 1 1 24
27.51 20.56 3.2418 3 0 0 6
29.46 1.28 3.0315 2 1 2 24
29.63 13.58 3.0146 1 1 3 12
31.88 1.37 2.8075 2 2 0 6
32.27 42.66 2.7739 3 0 2 12
32.98 1.87 2.7159 2 2 1 12
33.21 4.22 2.6974 3 1 0 12
33.44 4.55 2.6800 0 0 4 2
34.28 15.52 2.6158 3 1 1 24
35.02 36.34 2.5622 2 1 3 24
36.12 3.79 2.4870 2 2 2 12
36.97 1.10 2.4314 4 0 0 6
37.17 1.96 2.4186 1 1 4 12
37.32 4.83 2.4095 3 1 2 24
38.35 3.83 2.3471 2 0 4 12
40.43 7.44 2.2312 3 2 0 12
40.75 2.37 2.2142 4 0 2 12
40.88 29.93 2.2076 2 2 3 12
41.33 6.22 2.1844 3 2 1 24
41.97 20.41 2.1529 3 1 3 24
42.60 2.89 2.1223 4 1 0 12
43.47 5.40 2.0819 4 1 1 24
43.83 1.08 2.0656 3 0 4 12
43.96 3.37 2.0598 3 2 2 24
45.27 1.09 2.0030 1 1 5 12
45.99 1.73 1.9732 4 1 2 24
46.70 8.13 1.9451 5 0 0 6
46.87 3.08 1.9386 2 2 4 12
48.65 3.05 1.8717 3 3 0 6
49.20 5.81 1.8520 2 1 5 24
49.43 3.20 1.8438 3 3 1 12
49.88 2.72 1.8284 5 0 2 12
50.37 1.85 1.8115 4 2 1 24
50.70 1.23 1.8007 4 0 4 12
51.12 4.10 1.7867 0 0 6 2
51.73 6.09 1.7670 3 3 2 12
52.04 1.88 1.7573 1 0 6 12
52.38 1.01 1.7467 5 1 0 12
53.12 2.32 1.7240 5 1 1 24
53.85 4.58 1.7026 1 1 6 12
54.69 5.54 1.6784 3 1 5 24
55.21 13.99 1.6638 4 1 4 24
55.32 2.32 1.6608 5 1 2 24
56.80 7.40 1.6209 6 0 0 6
57.65 1.92 1.5989 4 3 0 12
58.35 1.67 1.5814 4 3 1 24
58.65 3.35 1.5742 5 0 4 12
61.48 1.82 1.5083 4 1 5 24
61.52 5.57 1.5073 2 2 6 12
62.06 1.67 1.4955 5 2 2 24
65.37 1.85 1.4276 5 2 3 24
68.67 1.35 1.3668 4 1 6 24
69.18 1.62 1.3580 4 4 2 12
70.36 1.70 1.3381 6 2 1 24
71.73 2.02 1.3158 5 0 6 12
72.32 3.73 1.3065 4 4 3 12
74.14 2.25 1.2790 7 1 1 24
75.98 1.19 1.2525 7 1 2 24
82.09 1.98 1.1740 5 2 6 24
85.75 2.20 1.1330 4 1 8 24
88.60 1.34 1.1038 4 4 6 12
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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.