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) Sample: P = 7.61 GPa _database_code_amcsd 0004379 CELL PARAMETERS: 5.9935 5.2346 4.1889 95.298 100.273 108.498 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 121.061 Density (g/cm3): 2.746 MAX. ABS. INTENSITY / VOLUME**2: 5.136716894 RIR: 0.609 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.98 2.74 5.5447 1 0 0 2 21.84 3.57 4.0689 0 0 1 2 24.12 10.11 3.6902 -1 0 1 2 28.11 8.80 3.1744 1 1 0 2 29.07 21.96 3.0713 -1 1 1 2 29.96 7.45 2.9825 1 0 1 2 30.04 60.97 2.9751 1 -1 1 2 30.72 61.68 2.9105 0 1 1 2 31.19 9.30 2.8677 -2 1 0 2 31.52 42.02 2.8382 -1 -1 1 2 32.29 82.13 2.7724 2 0 0 2 34.62 28.28 2.5911 -1 2 0 2 34.93 95.83 2.5690 -2 0 1 2 35.81 100.00 2.5077 -2 1 1 2 36.68 11.65 2.4503 0 2 0 2 39.80 77.76 2.2649 0 -2 1 2 39.95 31.16 2.2566 -2 2 0 2 40.00 7.28 2.2540 1 -2 1 2 40.86 3.74 2.2087 2 -1 1 2 42.58 7.16 2.1230 -1 2 1 2 42.59 2.17 2.1229 2 1 0 2 43.13 15.14 2.0975 -2 -1 1 2 43.35 43.97 2.0875 2 0 1 2 43.90 3.77 2.0622 -1 0 2 2 44.53 48.63 2.0345 0 0 2 2 45.27 24.98 2.0031 1 2 0 2 45.33 15.63 2.0008 -2 2 1 2 45.46 14.48 1.9951 0 -1 2 2 46.20 31.12 1.9650 0 2 1 2 46.22 3.27 1.9643 -3 1 0 2 46.65 25.03 1.9472 2 -2 1 2 47.21 3.31 1.9251 -1 -1 2 2 47.88 5.94 1.8997 -3 1 1 2 48.49 4.85 1.8774 -1 1 2 2 49.30 2.64 1.8482 3 0 0 2 49.39 5.89 1.8451 -2 0 2 2 49.48 1.95 1.8422 -3 0 1 2 50.74 1.69 1.7993 -3 2 0 2 51.11 3.61 1.7871 1 0 2 2 51.47 8.22 1.7754 -2 1 2 2 52.75 5.01 1.7353 -1 3 0 2 53.19 8.21 1.7219 2 1 1 2 53.66 3.92 1.7080 -3 2 1 2 53.78 1.23 1.7047 0 -2 2 2 54.56 11.87 1.6819 -2 -1 2 2 54.64 5.72 1.6797 -2 3 0 2 55.27 3.64 1.6620 3 -1 1 2 57.33 1.61 1.6072 0 -3 1 2 57.38 2.51 1.6058 -1 -2 2 2 58.00 1.44 1.5901 -3 -1 1 2 58.02 3.60 1.5896 3 -2 1 2 58.12 12.30 1.5872 2 2 0 2 59.13 1.41 1.5625 3 1 0 2 59.30 1.61 1.5582 1 1 2 2 59.60 1.17 1.5512 -1 2 2 2 60.03 5.41 1.5412 -1 3 1 2 61.65 4.23 1.5044 -3 3 0 2 62.26 3.73 1.4912 2 0 2 2 62.43 7.44 1.4875 2 -2 2 2 63.07 1.11 1.4741 -4 1 1 2 63.18 10.31 1.4716 -4 1 0 2 63.98 4.18 1.4553 0 2 2 2 65.05 4.32 1.4338 -4 2 0 2 65.81 2.79 1.4191 -2 -2 2 2 66.23 2.88 1.4111 -3 -1 2 2 66.28 4.12 1.4102 -4 0 1 2 67.01 2.22 1.3966 3 -3 1 2 67.30 6.05 1.3913 1 -3 2 2 68.75 2.15 1.3655 -1 -1 3 2 71.87 12.38 1.3137 -4 1 2 2 71.88 1.32 1.3135 -3 -2 1 2 72.31 1.17 1.3067 3 -1 2 2 72.55 3.93 1.3029 -1 -3 2 2 72.89 1.79 1.2977 1 2 2 2 73.03 3.41 1.2956 -2 4 0 2 73.07 5.88 1.2950 -2 1 3 2 73.22 2.03 1.2926 -1 4 0 2 73.37 2.38 1.2904 -2 -1 3 2 73.56 1.51 1.2876 1 -1 3 2 74.02 1.70 1.2806 3 2 0 2 74.07 2.11 1.2799 1 3 1 2 74.33 3.30 1.2761 -2 3 2 2 74.33 3.79 1.2761 0 -2 3 2 74.35 3.69 1.2758 1 -4 1 2 75.09 4.83 1.2651 -4 3 1 2 75.37 5.33 1.2611 -4 -1 1 2 75.51 1.18 1.2591 -1 3 2 2 75.68 2.79 1.2566 0 1 3 2 76.04 1.85 1.2516 -1 -2 3 2 76.95 2.17 1.2391 3 0 2 2 77.20 2.06 1.2356 1 -2 3 2 77.23 1.62 1.2353 2 3 0 2 77.42 2.82 1.2327 -3 4 0 2 77.47 2.81 1.2320 4 0 1 2 77.62 1.92 1.2301 -3 0 3 2 77.72 1.03 1.2287 4 1 0 2 77.73 3.89 1.2286 -3 3 2 2 77.74 1.31 1.2285 0 -4 1 2 77.99 2.64 1.2251 0 4 0 2 78.28 1.13 1.2214 -3 -2 2 2 79.27 2.03 1.2085 4 -3 1 2 80.57 1.03 1.1923 -1 4 1 2 80.63 1.43 1.1915 3 -3 2 2 81.65 1.88 1.1793 -2 2 3 2 81.91 2.23 1.1762 -2 -3 2 2 81.98 1.42 1.1753 -5 2 1 2 82.36 1.09 1.1709 -5 1 0 2 83.72 1.22 1.1552 1 1 3 2 83.84 1.21 1.1539 1 -4 2 2 84.50 1.20 1.1466 3 2 1 2 84.52 2.25 1.1464 2 -2 3 2 85.54 3.86 1.1352 -1 -4 1 2 85.86 5.58 1.1319 2 2 2 2 86.55 2.91 1.1246 2 0 3 2 86.55 1.12 1.1246 0 4 1 2 87.61 2.18 1.1137 0 2 3 2 88.33 2.90 1.1065 4 1 1 2 88.54 2.97 1.1044 4 -2 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.