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 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.