Coesite Levien L, Prewitt C T American Mineralogist 66 (1981) 324-333 High-pressure crystal structure and compressibility of coesite P = 1 atm anisotropic refinement _database_code_amcsd 0000817 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: 7.435606646 RIR: 0.829 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.32 5.71 6.1846 0 2 0 2 15.98 1.03 5.5474 -1 1 1 4 20.30 4.93 4.3755 0 2 1 4 25.86 6.31 3.4449 -1 1 2 4 25.94 13.90 3.4343 -1 3 1 4 26.01 40.07 3.4261 1 3 0 4 26.05 69.83 3.4201 1 1 1 4 28.77 99.48 3.1033 -2 0 2 2 28.84 85.26 3.0956 0 0 2 2 28.87 100.00 3.0923 0 4 0 2 28.89 84.45 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 14.31 2.7564 2 2 0 4 33.10 9.16 2.7061 -1 3 2 4 33.26 31.04 2.6941 1 3 1 4 38.53 8.68 2.3367 -2 4 1 4 39.08 3.67 2.3050 -1 1 3 4 39.25 2.74 2.2955 1 5 0 4 39.30 6.39 2.2926 1 1 2 4 39.32 4.24 2.2915 -3 1 1 4 41.11 2.09 2.1956 -2 2 3 4 41.21 3.59 2.1905 -2 4 2 4 41.27 2.41 2.1877 0 4 2 4 41.38 5.94 2.1819 2 4 0 4 44.43 2.15 2.0391 -1 3 3 4 44.53 2.75 2.0349 -3 3 2 4 44.61 9.02 2.0313 1 5 1 4 44.75 2.80 2.0251 3 1 0 4 48.98 1.66 1.8597 2 4 1 4 49.28 7.61 1.8491 -3 3 3 4 49.61 9.93 1.8376 3 3 0 4 50.92 17.82 1.7934 -2 0 4 2 51.18 10.96 1.7850 -2 6 1 4 53.35 1.00 1.7172 -2 6 2 4 53.37 3.23 1.7166 0 4 3 4 53.40 4.52 1.7159 0 6 2 4 53.46 3.33 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 2.02 1.6995 -1 7 1 4 53.99 6.44 1.6985 1 7 0 4 54.03 12.62 1.6971 1 1 3 4 55.51 17.04 1.6555 -4 2 3 4 58.09 1.30 1.5878 -1 3 4 4 58.20 3.79 1.5851 -1 7 2 4 58.30 4.18 1.5827 1 7 1 4 58.32 5.18 1.5822 1 3 3 4 58.42 3.64 1.5797 3 5 0 4 59.58 4.44 1.5516 -4 0 4 2 59.59 4.20 1.5514 -2 4 4 4 59.75 1.92 1.5478 0 0 4 2 59.82 4.64 1.5461 0 8 0 2 59.86 3.57 1.5452 -4 4 2 4 59.98 7.95 1.5423 2 4 2 4 60.10 3.59 1.5396 4 0 0 2 61.85 2.65 1.5001 0 8 1 4 62.13 1.63 1.4940 4 2 0 4 65.83 2.02 1.4187 -2 8 1 4 65.96 1.07 1.4162 -3 1 5 4 66.21 1.20 1.4115 -1 7 3 4 66.29 1.43 1.4099 -5 1 3 4 66.36 1.35 1.4086 1 7 2 4 66.37 2.52 1.4085 1 5 3 4 66.45 1.87 1.4070 -5 1 2 4 66.60 3.29 1.4042 3 1 2 4 69.71 8.47 1.3489 -4 6 2 4 69.81 1.58 1.3473 -3 3 5 4 69.82 6.19 1.3470 2 6 2 4 69.93 11.25 1.3452 -1 1 5 4 69.97 3.41 1.3445 -5 1 4 4 70.02 4.52 1.3436 -3 7 3 4 70.16 6.71 1.3414 1 9 0 4 70.20 1.37 1.3407 1 1 4 4 70.28 4.67 1.3394 -5 3 2 4 70.29 2.66 1.3392 3 7 0 4 70.43 3.78 1.3369 3 3 2 4 71.21 7.74 1.3242 -4 2 5 4 71.48 6.08 1.3199 -4 6 3 4 71.91 5.12 1.3129 4 2 1 4 73.30 1.86 1.2914 -2 8 3 4 73.54 1.02 1.2879 2 8 1 4 73.68 4.12 1.2857 -1 3 5 4 73.72 4.62 1.2851 -5 3 4 4 73.84 8.43 1.2834 -1 9 2 4 73.94 1.30 1.2818 1 3 4 4 77.05 1.23 1.2378 0 6 4 4 77.07 4.46 1.2374 0 8 3 4 77.24 1.80 1.2351 -5 1 5 4 77.36 4.15 1.2335 4 6 0 4 77.42 1.44 1.2327 -1 7 4 4 77.69 1.43 1.2291 -5 5 2 4 77.84 4.02 1.2272 3 5 2 4 77.95 1.93 1.2256 5 1 0 4 78.83 1.24 1.2141 0 2 5 4 80.99 2.65 1.1872 -1 5 5 4 81.03 3.13 1.1867 -5 5 4 4 81.17 3.40 1.1850 -3 9 2 4 81.24 4.64 1.1842 1 9 2 4 81.24 3.12 1.1841 1 5 4 4 81.57 3.18 1.1801 5 3 0 4 82.34 1.13 1.1710 -2 8 4 4 82.68 1.88 1.1671 2 8 2 4 82.96 1.70 1.1639 4 0 2 2 85.10 1.58 1.1400 3 3 3 4 85.79 3.81 1.1327 -4 6 5 4 86.45 1.08 1.1256 4 6 1 4 88.03 2.10 1.1095 -3 7 5 4 88.39 1.25 1.1059 1 1 5 4 88.73 1.62 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.