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 = 8.30 GPa _database_code_amcsd 0004380 CELL PARAMETERS: 5.9577 5.2189 4.1792 95.306 100.155 108.412 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 119.822 Density (g/cm3): 2.774 MAX. ABS. INTENSITY / VOLUME**2: 5.217298221 RIR: 0.612 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.06 1.44 5.5173 1 0 0 2 21.88 7.01 4.0616 0 0 1 2 24.22 11.48 3.6748 -1 0 1 2 28.19 8.37 3.1652 1 1 0 2 29.18 21.00 3.0608 -1 1 1 2 30.02 8.65 2.9764 1 0 1 2 30.12 61.24 2.9668 1 -1 1 2 30.77 61.63 2.9058 0 1 1 2 31.37 9.27 2.8515 -2 1 0 2 31.64 39.62 2.8280 -1 -1 1 2 32.46 81.90 2.7587 2 0 0 2 34.74 29.85 2.5825 -1 2 0 2 35.12 94.85 2.5550 -2 0 1 2 36.01 100.00 2.4942 -2 1 1 2 36.77 13.05 2.4445 0 2 0 2 39.91 75.26 2.2587 0 -2 1 2 40.13 5.30 2.2472 1 -2 1 2 40.15 28.63 2.2460 -2 2 0 2 41.01 4.51 2.2008 2 -1 1 2 42.71 6.93 2.1171 -1 2 1 2 42.75 2.49 2.1153 2 1 0 2 43.33 16.30 2.0883 -2 -1 1 2 43.48 40.99 2.0813 2 0 1 2 44.04 3.31 2.0563 -1 0 2 2 44.62 48.31 2.0308 0 0 2 2 45.39 24.87 1.9982 1 2 0 2 45.53 15.56 1.9921 -2 2 1 2 45.57 15.42 1.9907 0 -1 2 2 46.29 32.22 1.9615 0 2 1 2 46.49 2.79 1.9533 -3 1 0 2 46.83 27.24 1.9399 2 -2 1 2 47.37 3.94 1.9192 -1 -1 2 2 48.19 4.65 1.8883 -3 1 1 2 48.62 4.41 1.8727 -1 1 2 2 49.57 2.66 1.8391 3 0 0 2 49.62 4.80 1.8374 -2 0 2 2 49.78 2.26 1.8318 -3 0 1 2 51.03 2.48 1.7896 -3 2 0 2 51.20 2.94 1.7841 1 0 2 2 51.69 9.51 1.7685 -2 1 2 2 52.91 4.82 1.7303 -1 3 0 2 53.33 8.37 1.7177 2 1 1 2 53.92 1.96 1.7003 0 -2 2 2 53.98 4.24 1.6987 -3 2 1 2 54.80 11.09 1.6752 -2 -1 2 2 54.87 5.79 1.6733 -2 3 0 2 55.52 3.44 1.6552 3 -1 1 2 57.50 1.79 1.6029 0 -3 1 2 57.57 2.57 1.6009 -1 -2 2 2 58.29 3.37 1.5828 3 -2 1 2 58.30 11.90 1.5826 2 2 0 2 58.30 1.51 1.5826 -3 -1 1 2 59.39 1.27 1.5563 3 1 0 2 59.40 1.78 1.5559 1 1 2 2 59.75 1.12 1.5477 -1 2 2 2 60.19 5.08 1.5373 -1 3 1 2 61.98 3.63 1.4973 -3 3 0 2 62.40 4.61 1.4882 2 0 2 2 62.62 6.36 1.4834 2 -2 2 2 63.50 1.03 1.4651 -4 1 1 2 63.58 10.56 1.4634 -4 1 0 2 64.09 3.64 1.4529 0 2 2 2 65.46 3.94 1.4258 -4 2 0 2 66.08 2.71 1.4140 -2 -2 2 2 66.58 2.74 1.4046 -3 -1 2 2 66.70 3.76 1.4023 -4 0 1 2 67.32 1.92 1.3908 3 -3 1 2 67.51 6.18 1.3875 1 -3 2 2 68.96 1.89 1.3618 -1 -1 3 2 72.20 1.41 1.3084 -3 -2 1 2 72.34 12.49 1.3063 -4 1 2 2 72.56 1.03 1.3029 3 -1 2 2 72.80 3.66 1.2991 -1 -3 2 2 73.02 1.81 1.2957 1 2 2 2 73.32 3.84 1.2912 -2 4 0 2 73.33 5.47 1.2910 -2 1 3 2 73.45 1.68 1.2891 -1 4 0 2 73.66 3.05 1.2860 -2 -1 3 2 73.72 1.76 1.2852 1 -1 3 2 74.23 2.11 1.2775 1 3 1 2 74.31 1.75 1.2764 3 2 0 2 74.54 3.66 1.2730 0 -2 3 2 74.60 3.72 1.2722 1 -4 1 2 74.60 3.50 1.2722 -2 3 2 2 75.56 4.78 1.2584 -4 3 1 2 75.70 1.35 1.2564 -1 3 2 2 75.80 5.21 1.2550 -4 -1 1 2 75.83 2.94 1.2546 0 1 3 2 76.29 1.61 1.2482 -1 -2 3 2 77.18 2.12 1.2360 3 0 2 2 77.41 1.78 1.2329 1 -2 3 2 77.46 1.70 1.2321 2 3 0 2 77.80 2.61 1.2277 -3 4 0 2 77.83 2.80 1.2273 4 0 1 2 77.98 1.64 1.2253 0 -4 1 2 78.01 1.95 1.2249 -3 0 3 2 78.10 3.64 1.2236 -3 3 2 2 78.21 2.68 1.2223 0 4 0 2 78.66 1.06 1.2164 -3 -2 2 2 79.71 2.15 1.2030 4 -3 1 2 80.80 1.03 1.1894 -1 4 1 2 80.96 1.48 1.1875 3 -3 2 2 81.93 1.84 1.1759 -2 2 3 2 82.23 2.57 1.1723 -2 -3 2 2 82.59 1.53 1.1681 -5 2 1 2 84.76 2.73 1.1438 2 -2 3 2 84.77 1.17 1.1436 3 2 1 2 85.82 3.66 1.1323 -1 -4 1 2 86.05 5.46 1.1299 2 2 2 2 86.74 2.66 1.1226 2 0 3 2 86.77 1.10 1.1223 0 4 1 2 87.78 2.46 1.1120 0 2 3 2 88.70 3.04 1.1028 4 1 1 2 88.95 3.08 1.1004 4 -2 2 2 89.42 1.02 1.0958 4 -1 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.