CF3SO2(OH) Bartmann K, Mootz D Acta Crystallographica C46 (1990) 319-320 Structures of two strong Bronsted acids: (I) fluorosulfuric acid and (II) trifluoromethanesulfonic acid Sample: T = 173 K _database_code_amcsd 0010102 CELL PARAMETERS: 4.9470 11.2600 8.4570 90.000 99.210 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 465.009 Density (g/cm3): 2.143 MAX. ABS. INTENSITY / VOLUME**2: 6.217844567 RIR: 0.945 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.74 5.85 5.6300 0 2 0 2 19.01 82.45 4.6677 0 2 1 4 19.82 55.37 4.4801 1 1 0 4 21.08 76.76 4.2137 -1 1 1 4 21.29 100.00 4.1740 0 0 2 2 22.72 2.39 3.9137 0 1 2 4 23.88 50.56 3.7261 1 1 1 4 25.19 42.34 3.5359 -1 2 1 4 26.58 1.71 3.3530 0 2 2 4 26.97 24.05 3.3056 -1 1 2 4 27.59 10.70 3.2328 1 2 1 4 30.90 4.12 2.8938 -1 3 1 4 31.36 12.13 2.8522 1 1 2 4 31.79 31.62 2.8150 0 4 0 2 32.92 20.24 2.7204 1 3 1 4 33.60 3.42 2.6674 0 4 1 4 35.29 2.86 2.5432 -1 3 2 4 35.39 10.13 2.5366 -1 1 3 4 36.00 2.14 2.4946 0 2 3 4 36.81 2.34 2.4416 2 0 0 2 36.86 62.50 2.4388 1 4 0 4 37.55 2.04 2.3954 -2 1 1 4 38.08 22.80 2.3631 -1 2 3 4 38.58 7.72 2.3338 0 4 2 4 38.84 1.88 2.3185 1 3 2 4 40.12 1.27 2.2477 -2 2 1 4 40.26 1.71 2.2400 2 2 0 4 40.60 6.03 2.2221 1 1 3 4 40.93 1.00 2.2049 2 1 1 4 41.36 8.75 2.1831 -1 4 2 4 43.02 5.75 2.1026 1 2 3 4 44.12 1.75 2.0525 -2 3 1 4 44.13 3.33 2.0520 0 1 4 4 44.26 2.39 2.0467 2 3 0 4 44.29 5.66 2.0450 1 5 0 4 45.85 1.30 1.9790 0 4 3 4 45.97 9.75 1.9743 2 0 2 2 46.07 1.76 1.9700 -2 1 3 4 46.40 1.72 1.9569 0 2 4 4 46.74 1.28 1.9436 -2 3 2 4 46.82 2.08 1.9403 1 3 3 4 47.12 1.52 1.9289 2 3 1 4 48.22 1.89 1.8871 -1 5 2 4 48.27 4.02 1.8854 -2 2 3 4 49.29 2.24 1.8487 -2 4 1 4 49.80 6.54 1.8310 0 6 1 4 50.91 2.87 1.7937 1 1 4 4 50.93 1.52 1.7929 -1 3 4 4 51.03 3.13 1.7897 1 5 2 4 52.06 2.63 1.7568 2 4 1 4 52.96 6.10 1.7290 -2 0 4 2 55.40 4.45 1.6585 -2 5 1 4 55.63 1.15 1.6522 -1 4 4 4 55.78 1.33 1.6480 -3 0 1 2 55.87 1.40 1.6455 -1 1 5 4 56.39 1.97 1.6318 2 2 3 4 56.42 1.29 1.6309 -2 4 3 4 56.97 1.46 1.6164 2 4 2 4 57.63 2.08 1.5994 -2 5 2 4 57.80 5.19 1.5952 -1 2 5 4 57.96 1.94 1.5912 2 5 1 4 58.34 1.30 1.5816 -3 2 1 4 59.58 1.43 1.5517 3 0 1 2 61.30 1.35 1.5122 -1 5 4 4 62.05 2.09 1.4958 -2 5 3 4 62.11 1.50 1.4943 1 1 5 4 63.06 2.38 1.4742 2 0 4 2 63.82 1.01 1.4585 -1 7 2 4 64.53 2.59 1.4441 -2 2 5 4 66.42 1.41 1.4075 0 8 0 2 67.30 1.85 1.3913 0 0 6 2 68.55 2.40 1.3688 -2 6 3 4 69.50 2.41 1.3524 1 8 0 4 72.21 1.16 1.3083 2 7 1 4 73.91 4.09 1.2823 3 4 2 4 73.96 1.36 1.2816 3 2 3 4 75.31 1.18 1.2619 2 6 3 4 76.08 2.12 1.2510 -3 4 4 4 76.85 1.87 1.2404 -3 2 5 4 79.45 1.01 1.2062 -1 9 1 4 82.53 2.64 1.1689 -2 6 5 4 89.06 1.27 1.0993 3 4 4 4 89.34 1.30 1.0966 1 2 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.