Portlandite
Iizuka R, Yagi T, Komatsu K, Gotou H, Tsuchiya T, Kusaba K, Kagi H
American Mineralogist 98 (2013) 1421-1428
Crystal structure of the high-pressure phase of calcium hydroxide, portlandite:
In situ powder and single crystal X-ray diffraction study
Note: P = 8.9 GPa
Locality: synthetic
_database_code_amcsd 0020244
CELL PARAMETERS: 5.8882 6.8408 8.9334 90.000 104.798 90.000
SPACE GROUP: I2
X-RAY WAVELENGTH: 1.541838
Cell Volume: 347.902
Density (g/cm3): 2.752
MAX. ABS. INTENSITY / VOLUME**2: 11.83376284
RIR: 1.400
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
16.53 24.25 5.3626 0 1 1 2
20.29 3.24 4.3759 1 1 0 2
20.57 39.35 4.3186 0 0 2 2
20.77 1.39 4.2777 1 0 1 2
25.99 15.99 3.4286 -1 1 2 2
26.05 3.02 3.4204 0 2 0 1
30.89 100.00 2.8946 -1 2 1 2
31.02 3.23 2.8828 -1 0 3 2
31.43 48.05 2.8465 2 0 0 2
31.84 16.04 2.8103 1 1 2 2
32.97 3.36 2.7168 -2 0 2 2
33.42 3.33 2.6813 0 2 2 2
33.55 5.41 2.6714 1 2 1 2
33.78 10.01 2.6536 0 1 3 2
38.07 40.51 2.3638 2 1 1 2
38.48 1.38 2.3398 1 0 3 2
40.66 14.39 2.2189 -2 1 3 2
40.93 11.70 2.2047 0 3 1 2
40.94 49.76 2.2043 -1 2 3 2
41.26 4.22 2.1879 2 2 0 2
41.84 7.94 2.1593 0 0 4 2
42.25 4.89 2.1388 2 0 2 2
42.49 2.26 2.1274 -2 2 2 2
42.91 24.18 2.1075 -1 1 4 2
45.80 2.77 1.9811 -2 0 4 2
45.92 10.33 1.9763 -1 3 2 2
46.29 1.09 1.9614 -3 0 1 2
47.06 1.38 1.9312 1 2 3 2
49.09 1.90 1.8558 -3 1 2 2
49.74 9.94 1.8332 1 3 2 2
49.87 10.24 1.8286 3 1 0 2
49.95 3.15 1.8259 0 2 4 2
50.68 20.54 1.8011 1 1 4 2
50.69 1.05 1.8008 -2 3 1 2
51.10 8.54 1.7875 0 3 3 2
51.19 2.04 1.7845 -1 0 5 2
52.38 9.28 1.7467 2 1 3 2
53.45 2.24 1.7143 -2 2 4 2
53.59 14.08 1.7102 0 4 0 1
53.88 25.07 1.7015 -3 2 1 2
54.26 10.85 1.6905 2 3 1 2
54.81 4.40 1.6748 0 1 5 2
56.26 3.61 1.6351 -2 3 3 2
56.42 7.16 1.6308 -2 1 5 2
57.47 6.63 1.6036 -3 1 4 2
57.58 8.80 1.6006 -3 2 3 2
58.00 5.16 1.5901 0 4 2 2
58.05 1.84 1.5889 -1 3 4 2
58.09 1.50 1.5880 1 4 1 2
58.32 1.72 1.5821 -1 2 5 2
58.98 1.76 1.5660 3 2 1 2
59.56 1.44 1.5523 3 1 2 2
60.03 2.16 1.5412 2 0 4 2
62.82 1.50 1.4793 -3 0 5 2
63.37 3.77 1.4677 -4 0 2 2
63.46 5.36 1.4660 2 4 0 2
63.81 1.93 1.4586 3 3 0 2
64.00 1.89 1.4548 -1 1 6 2
64.37 3.62 1.4473 -2 4 2 2
64.51 5.30 1.4446 1 3 4 2
64.76 1.17 1.4395 0 0 6 2
65.59 1.01 1.4232 4 0 0 2
65.97 5.63 1.4160 2 3 3 2
66.32 1.59 1.4094 1 2 5 2
66.55 1.69 1.4051 2 2 4 2
68.10 2.62 1.3769 0 3 5 2
69.16 3.26 1.3584 -4 0 4 2
69.52 3.04 1.3521 -2 3 5 2
70.50 1.10 1.3357 2 4 2 2
70.96 1.27 1.3283 -2 2 6 2
71.19 2.04 1.3245 4 1 1 2
71.71 1.35 1.3161 3 2 3 2
72.95 2.42 1.2968 -3 1 6 2
73.10 1.40 1.2946 -2 4 4 2
73.13 1.07 1.2941 1 1 6 2
73.18 1.23 1.2932 -1 5 2 2
76.03 1.04 1.2517 3 1 4 2
76.12 2.60 1.2505 1 5 2 2
76.32 1.30 1.2477 -4 1 5 2
77.27 1.30 1.2347 -1 4 5 2
78.82 1.41 1.2143 0 1 7 2
79.77 1.60 1.2023 2 5 1 2
80.36 3.63 1.1948 -1 2 7 2
82.44 1.23 1.1699 2 0 6 2
82.95 2.56 1.1640 -1 5 4 2
83.15 2.13 1.1617 4 3 1 2
84.48 1.89 1.1468 4 1 3 2
84.84 1.33 1.1429 -3 3 6 2
86.69 2.89 1.1231 5 1 0 2
87.11 1.35 1.1188 -3 4 5 2
87.40 3.26 1.1158 -1 6 1 2
87.60 3.46 1.1138 -4 4 2 2
88.00 1.27 1.1098 3 5 0 2
88.10 1.09 1.1088 -4 3 5 2
88.63 1.76 1.1036 1 5 4 2
88.66 1.14 1.1032 -5 -2 3 2
88.82 1.14 1.1017 1 6 1 2
88.85 1.60 1.1013 0 4 6 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.