F2 H K Peterson S, Levy H Journal of Chemical Physics 20 (1952) 704-707 A single crystal neutron diffraction determination of the hydrogen position in potassium bifluoride _cod_database_code 1009029 _database_code_amcsd 0016891 CELL PARAMETERS: 5.6700 5.6700 6.8100 90.000 90.000 90.000 SPACE GROUP: I4/mcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 218.934 Density (g/cm3): 2.369 MAX. ABS. INTENSITY / VOLUME**2: 19.13222917 RIR: 2.629 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 22.17 26.58 4.0093 1 1 0 4 31.56 22.78 2.8350 2 0 0 4 34.56 100.00 2.5953 1 1 2 8 37.86 40.86 2.3763 2 1 1 16 41.45 35.53 2.1787 2 0 2 8 45.23 10.92 2.0046 2 2 0 4 50.93 28.21 1.7930 3 1 0 8 53.01 9.20 1.7275 2 2 2 8 53.85 9.75 1.7025 0 0 4 2 54.23 10.26 1.6913 2 1 3 16 58.15 3.45 1.5865 3 1 2 16 58.94 2.44 1.5671 1 1 4 8 60.41 2.36 1.5323 3 2 1 16 63.77 3.49 1.4595 2 0 4 8 72.19 10.20 1.3086 4 0 2 8 72.89 3.27 1.2977 2 2 4 8 73.22 1.01 1.2927 3 2 3 16 74.90 3.71 1.2679 4 2 0 8 76.59 7.22 1.2440 3 3 2 8 77.28 10.47 1.2346 3 1 4 16 79.96 1.90 1.1999 2 1 5 16 80.91 2.74 1.1882 4 2 2 16 87.78 2.03 1.1120 5 1 0 8 89.81 2.68 1.0921 1 1 6 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.