KHCO3 Allan D R, Marshall W G, Pulham C R American Mineralogist 92 (2007) 1018-1025 The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Note: Kalicinite-type structure Sample: P = 1.67 GPa _database_code_amcsd 0004368 CELL PARAMETERS: 14.6630 5.5384 3.6323 90.000 102.527 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 287.955 Density (g/cm3): 2.309 MAX. ABS. INTENSITY / VOLUME**2: 6.907680679 RIR: 0.974 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.37 22.52 7.1570 2 0 0 2 17.17 4.12 5.1652 1 1 0 4 24.63 23.22 3.6149 3 1 0 4 24.88 54.09 3.5785 4 0 0 2 29.42 11.76 3.0363 -1 1 1 4 29.72 1.19 3.0057 4 1 0 4 29.92 1.81 2.9862 0 1 1 4 30.25 2.14 2.9544 -2 1 1 4 30.47 1.29 2.9342 2 0 1 2 31.43 86.85 2.8462 -4 0 1 2 31.71 73.38 2.8221 1 1 1 4 32.33 18.48 2.7692 0 2 0 2 32.33 81.52 2.7690 -3 1 1 4 32.94 9.80 2.7188 1 2 0 4 34.74 45.95 2.5826 2 2 0 4 35.29 10.04 2.5431 5 1 0 4 35.46 1.68 2.5315 -4 1 1 4 37.55 1.68 2.3950 3 2 0 4 37.71 2.07 2.3857 6 0 0 2 39.42 27.97 2.2856 -5 1 1 4 39.47 45.45 2.2833 4 0 1 2 41.20 1.38 2.1910 6 1 0 4 41.22 4.52 2.1900 4 2 0 4 41.62 34.38 2.1700 -2 2 1 4 42.74 3.45 2.1159 1 2 1 4 43.22 2.95 2.0932 -3 2 1 4 45.01 21.42 2.0139 2 2 1 4 45.58 2.82 1.9904 5 2 0 4 45.71 2.22 1.9848 -4 2 1 4 47.39 9.05 1.9183 7 1 0 4 47.86 1.91 1.9004 5 1 1 4 48.10 2.56 1.8915 3 2 1 4 49.80 5.59 1.8310 1 3 0 4 50.26 1.37 1.8152 -2 0 2 2 50.49 25.91 1.8074 6 2 0 4 50.53 1.08 1.8062 6 0 1 2 51.04 5.96 1.7892 8 0 0 2 51.55 9.90 1.7729 0 0 2 2 51.90 2.40 1.7617 4 2 1 4 52.02 9.32 1.7581 -8 0 1 2 52.39 4.97 1.7464 -4 0 2 2 53.20 2.02 1.7217 3 3 0 4 53.30 7.21 1.7187 -1 1 2 4 53.71 9.37 1.7065 -3 1 2 4 55.89 2.05 1.6450 7 2 0 4 56.15 2.54 1.6380 1 1 2 4 57.27 3.66 1.6088 1 3 1 4 57.66 1.31 1.5986 -6 0 2 2 59.12 2.66 1.5626 2 3 1 4 59.70 1.98 1.5489 -4 3 1 4 60.57 7.09 1.5287 9 1 0 4 61.27 2.80 1.5128 6 2 1 4 61.70 3.53 1.5033 3 3 1 4 62.45 6.83 1.4870 -5 3 1 4 63.07 3.07 1.4740 8 0 1 2 63.83 9.95 1.4583 -7 1 2 4 65.87 1.76 1.4179 -6 3 1 4 66.23 5.78 1.4110 2 2 2 4 67.67 2.48 1.3846 0 4 0 2 67.67 1.74 1.3845 -6 2 2 4 68.03 3.56 1.3782 1 4 0 4 68.85 2.20 1.3637 5 3 1 4 70.34 3.37 1.3384 5 1 2 4 72.78 3.48 1.2994 -9 1 2 4 73.11 2.26 1.2944 -2 3 2 4 73.29 3.85 1.2917 -1 3 2 4 73.63 2.39 1.2865 -3 3 2 4 73.95 3.15 1.2818 -11 1 1 4 74.22 2.27 1.2777 -10 2 1 4 76.41 1.06 1.2465 5 4 0 4 76.51 1.42 1.2451 -4 4 1 4 79.55 2.09 1.2050 9 3 0 4 79.73 1.35 1.2027 -9 3 1 4 80.53 1.19 1.1928 12 0 0 2 81.26 1.42 1.1839 4 4 1 4 81.40 2.00 1.1823 -3 1 3 4 82.18 3.95 1.1730 6 2 2 4 84.86 1.08 1.1426 5 4 1 4 84.95 1.39 1.1416 8 0 2 2 85.75 2.13 1.1330 1 1 3 4 86.06 4.86 1.1298 10 2 1 4 88.17 1.67 1.1081 -2 2 3 4 88.76 1.44 1.1023 -8 0 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.