Cristobalite Matsui M, Sato T, Funamori N American Mineralogist 99 (2014) 184-189 Crystal structures and stabilities of cristobalite-helium phases at high pressures Note: P = 10 GPa Locality: calculated structure _database_code_amcsd 0020170 CELL PARAMETERS: 8.0620 4.7970 9.4910 90.000 120.430 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 316.488 Density (g/cm3): 2.690 MAX. ABS. INTENSITY / VOLUME**2: 8.672514107 RIR: 1.050 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 21.47 37.94 4.1384 0 1 1 4 21.72 100.00 4.0918 0 0 2 2 22.00 8.37 4.0397 -1 1 1 4 22.52 78.17 3.9482 1 1 0 4 23.75 63.40 3.7456 -2 0 2 2 27.77 2.53 3.2126 1 1 1 4 28.68 3.54 3.1131 0 1 2 4 29.01 87.62 3.0780 -2 1 1 4 30.27 4.25 2.9522 -2 1 2 4 30.45 13.56 2.9357 1 0 2 2 31.79 1.47 2.8146 2 1 0 4 33.42 11.01 2.6809 -3 0 2 2 34.16 2.40 2.6251 -1 1 3 4 35.19 5.77 2.5500 -2 1 3 4 35.86 18.33 2.5040 1 1 2 4 37.50 4.26 2.3985 0 2 0 2 37.83 14.03 2.3784 2 1 1 4 37.94 8.53 2.3713 0 1 3 4 38.10 20.43 2.3621 -2 0 4 2 39.10 1.16 2.3040 -1 0 4 2 39.40 2.66 2.2868 -3 1 1 4 39.45 25.97 2.2843 -1 2 1 4 39.76 1.48 2.2673 1 2 0 4 40.74 5.39 2.2149 -3 1 3 4 42.26 2.34 2.1386 -1 2 2 4 43.12 3.82 2.0977 1 2 1 4 43.37 1.06 2.0865 3 1 0 4 43.58 11.21 2.0769 -1 1 4 4 43.75 8.13 2.0692 0 2 2 4 43.98 3.06 2.0588 -2 2 1 4 44.27 5.36 2.0459 0 0 4 2 45.82 1.84 1.9805 -3 1 4 4 46.03 9.87 1.9719 2 1 2 4 47.74 2.94 1.9052 -1 2 3 4 49.22 2.46 1.8511 -4 1 2 4 49.53 10.86 1.8403 -4 1 3 4 50.68 1.47 1.8012 0 2 3 4 51.56 2.69 1.7726 -4 1 1 4 51.85 4.07 1.7634 -3 2 1 4 52.45 1.32 1.7446 -4 1 4 4 52.64 3.50 1.7386 1 0 4 2 52.67 5.89 1.7379 4 0 0 2 53.08 1.45 1.7254 -3 1 5 4 54.14 2.86 1.6942 -1 1 5 4 55.11 1.26 1.6665 3 2 0 4 55.72 2.13 1.6497 2 1 3 4 56.28 1.18 1.6346 1 1 4 4 56.94 1.71 1.6173 1 2 3 4 57.70 5.16 1.5977 -4 1 5 4 58.37 2.19 1.5809 -5 0 4 2 58.89 1.33 1.5682 -2 0 6 2 59.30 3.48 1.5583 1 3 0 4 59.69 2.23 1.5490 0 1 5 4 60.39 4.01 1.5328 -4 2 3 4 60.58 2.50 1.5284 -5 1 3 4 60.61 9.41 1.5278 3 2 1 4 61.61 1.26 1.5053 -4 0 6 2 62.39 2.08 1.4884 -1 0 6 2 62.53 5.58 1.4854 -2 3 1 4 63.36 1.45 1.4678 2 0 4 2 63.53 4.45 1.4645 -3 2 5 4 64.92 2.71 1.4363 -4 1 6 4 65.68 4.84 1.4215 -1 1 6 4 66.17 2.27 1.4122 -2 3 3 4 66.60 2.28 1.4042 1 3 2 4 66.63 3.48 1.4036 2 1 4 4 67.60 4.07 1.3858 -5 0 6 2 67.70 1.81 1.3840 -4 2 5 4 67.87 2.98 1.3809 2 3 1 4 67.95 1.34 1.3795 0 3 3 4 68.02 1.43 1.3782 1 1 5 4 68.30 8.58 1.3733 -3 3 2 4 68.52 1.26 1.3694 4 0 2 2 69.53 4.95 1.3519 0 2 5 4 70.22 3.33 1.3404 -6 0 4 2 70.36 1.53 1.3381 -5 2 3 4 70.52 3.56 1.3353 5 1 0 4 71.21 1.46 1.3241 -2 3 4 4 71.72 2.57 1.3161 3 3 0 4 71.98 2.10 1.3119 0 1 6 4 72.44 3.02 1.3047 -3 1 7 4 72.69 3.48 1.3007 -6 0 2 2 73.52 2.33 1.2882 -3 3 4 4 74.54 5.30 1.2730 -5 2 1 4 75.12 1.03 1.2647 -1 2 6 4 76.01 1.33 1.2520 2 2 4 4 76.26 2.04 1.2485 -6 0 6 2 76.36 3.30 1.2471 -4 3 3 4 77.19 5.52 1.2359 3 2 3 4 77.34 5.39 1.2339 1 2 5 4 77.97 1.17 1.2254 -4 3 1 4 79.29 1.13 1.2083 -6 1 6 4 80.01 1.88 1.1992 0 4 0 2 80.09 1.78 1.1982 -6 1 1 4 81.24 1.56 1.1842 -1 4 1 4 81.84 1.70 1.1769 1 3 4 4 81.89 1.72 1.1764 4 1 3 4 83.01 4.25 1.1633 -2 2 7 4 83.04 1.39 1.1630 -4 3 5 4 84.91 2.44 1.1421 -2 4 2 4 87.03 1.89 1.1196 -2 3 6 4 87.09 3.95 1.1190 5 1 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.