Ettringite
Goetz-Neunhoeffer F, Neubauer J
Powder Diffraction 21 (2006) 4-11
Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure
for quantitative X-ray diffraction analysis
Locality: synthetic
_database_code_amcsd 0017886
CELL PARAMETERS: 11.2290 11.2290 21.4780 90.000 90.000 120.000
SPACE GROUP: P31c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2345.344
Density (g/cm3): 1.777
MAX. ABS. INTENSITY / VOLUME**2: 9.090701018
RIR: 1.666
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.23 2.46 10.7390 0 0 2 1
9.09 100.00 9.7246 1 0 0 6
9.98 7.81 8.8589 1 0 1 6
12.28 1.38 7.2083 1 0 2 6
15.37 3.79 5.7654 1 0 3 6
15.78 46.33 5.6145 1 1 0 3
17.83 11.76 4.9755 2 -1 2 3
18.25 2.35 4.8623 2 0 0 6
18.88 24.87 4.7006 1 0 4 6
22.10 5.06 4.0223 2 0 3 6
22.92 20.93 3.8805 2 -1 4 3
22.92 16.90 3.8805 1 1 4 3
24.21 2.18 3.6756 2 1 0 6
24.70 8.41 3.6042 2 0 4 6
25.62 4.24 3.4775 3 -1 2 6
25.62 13.52 3.4775 2 1 2 6
27.27 2.92 3.2698 2 1 3 6
27.52 10.32 3.2415 3 0 0 6
29.60 2.60 3.0184 2 -1 6 3
29.60 2.33 3.0184 1 1 6 3
31.88 1.95 2.8073 2 2 0 3
32.05 1.11 2.7927 2 1 5 6
32.26 24.06 2.7751 3 0 4 6
33.22 2.82 2.6971 3 1 0 6
33.37 5.01 2.6848 0 0 8 1
34.28 4.44 2.6159 3 1 2 6
34.28 7.07 2.6159 4 -1 2 6
34.99 14.21 2.5644 3 -1 6 6
34.99 15.94 2.5644 2 1 6 6
35.57 1.36 2.5240 3 1 3 6
36.10 1.43 2.4878 4 -2 4 3
37.31 3.38 2.4102 3 1 4 6
37.31 1.95 2.4102 4 -1 4 6
38.30 2.91 2.3503 2 0 8 6
40.43 4.57 2.2310 3 2 0 6
40.85 11.59 2.2090 4 -2 6 3
40.85 14.87 2.2090 2 2 6 3
41.33 2.35 2.1843 5 -2 2 6
41.94 8.22 2.1541 3 1 6 6
41.94 6.29 2.1541 4 -1 6 6
42.44 1.34 2.1300 3 2 3 6
42.60 1.97 2.1221 4 1 0 6
43.47 1.32 2.0818 5 -1 2 6
43.95 1.54 2.0602 5 -2 4 6
43.95 1.45 2.0602 3 2 4 6
46.70 5.86 1.9449 5 0 0 6
49.13 3.51 1.8544 2 1 10 6
49.13 1.19 1.8544 3 -1 10 6
49.43 1.08 1.8437 6 -3 2 3
49.43 2.48 1.8437 3 3 2 3
49.87 1.69 1.8287 5 0 4 6
50.38 1.20 1.8114 6 -2 2 6
50.38 1.11 1.8114 4 2 2 6
51.03 2.01 1.7898 0 0 12 1
51.73 1.56 1.7672 6 -3 4 3
51.73 1.62 1.7672 3 3 4 3
51.95 2.63 1.7603 1 0 12 6
52.38 1.19 1.7466 5 1 0 6
53.13 1.03 1.7239 6 -1 2 6
53.75 1.49 1.7053 2 -1 12 3
54.62 1.96 1.6802 3 1 10 6
54.62 1.69 1.6802 4 -1 10 6
55.17 3.18 1.6648 4 1 8 6
55.17 4.20 1.6648 5 -1 8 6
55.31 1.52 1.6609 5 1 4 6
56.80 4.92 1.6208 6 0 0 6
57.66 1.19 1.5987 4 3 0 6
58.36 1.31 1.5813 7 -3 2 6
58.61 3.47 1.5751 5 0 8 6
61.44 1.94 1.5092 4 -2 12 3
61.44 1.43 1.5092 2 2 12 3
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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.