Coesite Levien L, Prewitt C T American Mineralogist 66 (1981) 324-333 High-pressure crystal structure and compressibility of coesite P = 1 atm isotropic refinement _database_code_amcsd 0000816 CELL PARAMETERS: 7.1356 12.3692 7.1736 90.000 120.340 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 546.439 Density (g/cm3): 2.921 MAX. ABS. INTENSITY / VOLUME**2: 7.448558628 RIR: 0.830 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.32 5.77 6.1846 0 2 0 2 15.98 1.04 5.5474 -1 1 1 4 20.30 4.92 4.3755 0 2 1 4 25.86 6.29 3.4449 -1 1 2 4 25.94 13.77 3.4343 -1 3 1 4 26.01 39.97 3.4261 1 3 0 4 26.05 70.01 3.4201 1 1 1 4 28.77 99.38 3.1033 -2 0 2 2 28.84 85.20 3.0956 0 0 2 2 28.87 100.00 3.0923 0 4 0 2 28.89 84.52 3.0903 -2 2 1 4 29.00 17.00 3.0792 2 0 0 2 32.27 2.11 2.7737 -2 2 2 4 32.34 7.56 2.7682 0 2 2 4 32.36 6.23 2.7664 0 4 1 4 32.48 14.28 2.7564 2 2 0 4 33.10 9.20 2.7061 -1 3 2 4 33.26 30.83 2.6941 1 3 1 4 38.53 8.70 2.3367 -2 4 1 4 39.08 3.66 2.3050 -1 1 3 4 39.25 2.73 2.2955 1 5 0 4 39.30 6.41 2.2926 1 1 2 4 39.32 4.19 2.2915 -3 1 1 4 41.11 2.07 2.1956 -2 2 3 4 41.21 3.60 2.1905 -2 4 2 4 41.27 2.43 2.1877 0 4 2 4 41.38 5.93 2.1819 2 4 0 4 44.43 2.17 2.0391 -1 3 3 4 44.53 2.75 2.0349 -3 3 2 4 44.61 9.05 2.0313 1 5 1 4 44.75 2.81 2.0251 3 1 0 4 48.98 1.65 1.8597 2 4 1 4 49.28 7.57 1.8491 -3 3 3 4 49.61 9.93 1.8376 3 3 0 4 50.92 17.84 1.7934 -2 0 4 2 51.18 10.97 1.7850 -2 6 1 4 53.35 1.00 1.7172 -2 6 2 4 53.37 3.25 1.7166 0 4 3 4 53.40 4.56 1.7159 0 6 2 4 53.46 3.36 1.7140 -4 2 2 4 53.49 11.58 1.7130 2 6 0 4 53.59 3.24 1.7101 2 2 2 4 53.95 2.00 1.6995 -1 7 1 4 53.99 6.44 1.6985 1 7 0 4 54.03 12.70 1.6971 1 1 3 4 55.51 17.07 1.6555 -4 2 3 4 58.09 1.30 1.5878 -1 3 4 4 58.20 3.81 1.5851 -1 7 2 4 58.30 4.14 1.5827 1 7 1 4 58.32 5.17 1.5822 1 3 3 4 58.42 3.64 1.5797 3 5 0 4 59.58 4.47 1.5516 -4 0 4 2 59.59 4.22 1.5514 -2 4 4 4 59.75 1.90 1.5478 0 0 4 2 59.82 4.62 1.5461 0 8 0 2 59.86 3.58 1.5452 -4 4 2 4 59.98 7.94 1.5423 2 4 2 4 60.10 3.60 1.5396 4 0 0 2 61.85 2.67 1.5001 0 8 1 4 62.13 1.65 1.4940 4 2 0 4 65.83 2.05 1.4187 -2 8 1 4 65.96 1.07 1.4162 -3 1 5 4 66.21 1.22 1.4115 -1 7 3 4 66.29 1.42 1.4099 -5 1 3 4 66.36 1.34 1.4086 1 7 2 4 66.37 2.54 1.4085 1 5 3 4 66.45 1.87 1.4070 -5 1 2 4 66.60 3.30 1.4042 3 1 2 4 69.71 8.54 1.3489 -4 6 2 4 69.81 1.59 1.3473 -3 3 5 4 69.82 6.20 1.3470 2 6 2 4 69.93 11.31 1.3452 -1 1 5 4 69.97 3.41 1.3445 -5 1 4 4 70.02 4.53 1.3436 -3 7 3 4 70.16 6.72 1.3414 1 9 0 4 70.20 1.38 1.3407 1 1 4 4 70.28 4.68 1.3394 -5 3 2 4 70.29 2.67 1.3392 3 7 0 4 70.43 3.79 1.3369 3 3 2 4 71.21 7.77 1.3242 -4 2 5 4 71.48 6.08 1.3199 -4 6 3 4 71.91 5.15 1.3129 4 2 1 4 73.30 1.86 1.2914 -2 8 3 4 73.54 1.04 1.2879 2 8 1 4 73.68 4.12 1.2857 -1 3 5 4 73.72 4.63 1.2851 -5 3 4 4 73.84 8.47 1.2834 -1 9 2 4 73.94 1.30 1.2818 1 3 4 4 77.05 1.24 1.2378 0 6 4 4 77.07 4.52 1.2374 0 8 3 4 77.24 1.81 1.2351 -5 1 5 4 77.36 4.18 1.2335 4 6 0 4 77.42 1.45 1.2327 -1 7 4 4 77.69 1.42 1.2291 -5 5 2 4 77.84 4.02 1.2272 3 5 2 4 77.95 1.94 1.2256 5 1 0 4 78.83 1.25 1.2141 0 2 5 4 80.99 2.67 1.1872 -1 5 5 4 81.03 3.13 1.1867 -5 5 4 4 81.17 3.42 1.1850 -3 9 2 4 81.24 4.66 1.1842 1 9 2 4 81.24 3.13 1.1841 1 5 4 4 81.57 3.19 1.1801 5 3 0 4 82.34 1.13 1.1710 -2 8 4 4 82.68 1.89 1.1671 2 8 2 4 82.96 1.71 1.1639 4 0 2 2 85.10 1.59 1.1400 3 3 3 4 85.79 3.82 1.1327 -4 6 5 4 86.45 1.09 1.1256 4 6 1 4 88.03 2.13 1.1095 -3 7 5 4 88.39 1.27 1.1059 1 1 5 4 88.73 1.63 1.1026 5 5 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.