Ice IV
Engelhardt H, Kamb B
Journal of Chemical Physics 75 (1981) 5887-5899
Structure of ice IV, a metastable high-pressure phase
Note: T = 110 K, synthesized at 4-5.5 kb
Locality: synthetic
_database_code_amcsd 0018368
CELL PARAMETERS: 7.6000 7.6000 7.6000 70.100 70.100 70.100
SPACE GROUP: R-3c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 375.394
Density (g/cm3): 1.275
MAX. ABS. INTENSITY / VOLUME**2: 2.730714915
RIR: 0.697
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.66 29.44 5.6585 1 1 0 6
23.95 4.20 3.7156 2 1 1 6
25.73 7.11 3.4628 2 1 0 12
25.78 4.43 3.4560 2 0 0 6
31.45 28.15 2.8443 2 2 2 2
31.62 100.00 2.8292 2 2 0 6
31.75 91.54 2.8181 0 -1 2 12
33.06 84.50 2.7094 2 -1 1 12
35.63 20.49 2.5199 1 -2 1 6
37.75 96.36 2.3830 3 2 1 12
37.90 3.08 2.3741 3 1 0 12
41.20 28.89 2.1909 3 2 0 12
41.37 33.39 2.1823 0 -2 2 6
43.49 24.02 2.0810 2 -2 1 12
44.11 2.94 2.0531 3 3 2 6
44.50 2.43 2.0361 0 -1 3 12
48.25 1.15 1.8862 3 3 0 6
48.25 5.52 1.8862 4 1 1 6
49.12 11.01 1.8546 4 2 1 12
51.13 22.23 1.7865 4 1 0 12
52.63 3.22 1.7392 4 3 2 12
52.99 5.86 1.7280 4 0 0 6
53.95 1.24 1.6996 3 -2 1 12
55.17 3.67 1.6647 4 3 3 6
55.72 4.10 1.6497 2 -3 1 12
57.35 9.36 1.6066 4 -1 1 12
58.02 2.15 1.5897 4 3 0 12
58.23 9.47 1.5844 3 -2 2 12
58.23 3.99 1.5844 0 -1 4 12
59.42 2.90 1.5554 4 4 2 6
62.07 1.73 1.4953 5 2 1 12
63.49 4.84 1.4651 5 3 2 12
65.40 1.18 1.4270 5 1 0 12
65.40 4.57 1.4270 4 -1 3 12
65.50 1.05 1.4251 3 -2 3 6
65.65 3.70 1.4222 4 4 4 2
66.04 1.56 1.4146 4 4 0 6
66.34 4.34 1.4090 0 -2 4 12
68.86 2.03 1.3634 5 4 2 12
69.44 3.04 1.3535 -1 -2 4 12
69.90 2.30 1.3457 5 3 0 12
70.19 3.69 1.3409 3 -3 2 12
71.25 2.69 1.3236 5 4 1 12
73.05 5.28 1.2953 5 -1 2 12
75.33 2.02 1.2616 4 -2 3 12
76.36 4.20 1.2471 6 3 2 12
76.55 3.32 1.2446 5 4 0 12
76.92 1.98 1.2395 0 -3 4 12
76.99 1.43 1.2385 5 5 2 6
79.11 4.61 1.2105 3 -4 1 12
80.64 2.56 1.1915 6 4 2 12
81.07 1.17 1.1862 6 1 0 12
81.25 1.45 1.1840 4 -3 2 12
81.25 1.50 1.1840 0 -2 5 12
84.01 2.40 1.1520 6 0 0 6
87.69 1.07 1.1129 4 -3 3 12
88.25 1.72 1.1072 6 -1 2 12
89.45 1.07 1.0955 6 4 0 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.