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 = 2.84 GPa _database_code_amcsd 0004371 CELL PARAMETERS: 14.3300 5.4868 3.6024 90.000 101.457 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 277.598 Density (g/cm3): 2.395 MAX. ABS. INTENSITY / VOLUME**2: 6.463072423 RIR: 0.879 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.61 16.12 7.0222 2 0 0 2 17.35 2.40 5.1106 1 1 0 4 25.00 27.07 3.5613 3 1 0 4 25.22 1.46 3.5306 0 0 1 2 25.37 60.41 3.5111 4 0 0 2 29.70 11.00 3.0083 -1 1 1 4 30.10 2.62 2.9690 0 1 1 4 30.22 1.12 2.9574 4 1 0 4 30.52 2.28 2.9295 2 0 1 2 30.67 2.52 2.9149 -2 1 1 4 31.83 80.96 2.8114 1 1 1 4 32.19 100.00 2.7811 -4 0 1 2 32.64 18.53 2.7434 0 2 0 2 32.91 82.39 2.7213 -3 1 1 4 33.28 12.92 2.6925 1 2 0 4 35.12 48.07 2.5553 2 2 0 4 35.92 7.28 2.5003 5 1 0 4 36.21 2.57 2.4806 -4 1 1 4 38.02 2.55 2.3669 3 2 0 4 38.46 2.08 2.3407 6 0 0 2 39.63 49.43 2.2740 4 0 1 2 40.35 26.31 2.2354 -5 1 1 4 41.39 2.01 2.1814 -1 2 1 4 41.78 6.37 2.1618 4 2 0 4 41.96 1.19 2.1530 6 1 0 4 42.13 36.88 2.1450 -2 2 1 4 43.02 6.15 2.1027 1 2 1 4 43.86 3.54 2.0642 -3 2 1 4 45.29 27.72 2.0024 2 2 1 4 46.26 5.34 1.9626 5 2 0 4 46.50 1.83 1.9531 -4 2 1 4 48.17 3.63 1.8890 5 1 1 4 48.30 11.85 1.8843 7 1 0 4 48.40 3.40 1.8806 3 2 1 4 50.31 5.21 1.8136 1 3 0 4 50.76 1.78 1.7986 -2 0 2 2 51.31 26.93 1.7807 6 2 0 4 51.64 1.64 1.7699 2 3 0 4 51.79 11.95 1.7653 0 0 2 2 52.10 5.87 1.7556 8 0 0 2 52.25 1.99 1.7507 4 2 1 4 53.25 3.35 1.7203 -4 0 2 2 53.48 8.84 1.7135 -8 0 1 2 53.69 7.92 1.7071 -1 1 2 4 53.81 2.00 1.7035 3 3 0 4 54.41 12.42 1.6863 -3 1 2 4 56.36 1.33 1.6326 1 1 2 4 56.85 2.02 1.6195 7 2 0 4 57.74 3.58 1.5967 1 3 1 4 58.94 1.21 1.5670 -6 0 2 2 59.59 3.20 1.5514 2 3 1 4 59.79 1.02 1.5468 7 1 1 4 60.60 2.66 1.5281 -4 3 1 4 61.79 1.99 1.5013 6 2 1 4 61.81 6.99 1.5010 9 1 0 4 62.11 1.35 1.4944 3 1 2 4 62.19 2.64 1.4926 3 3 1 4 63.50 6.71 1.4651 -5 3 1 4 63.72 4.08 1.4605 8 0 1 2 64.07 1.18 1.4533 -8 2 1 4 65.35 10.92 1.4280 -7 1 2 4 66.52 5.56 1.4057 2 2 2 4 67.08 2.18 1.3953 -6 3 1 4 68.39 2.42 1.3717 0 4 0 2 68.76 4.74 1.3652 1 4 0 4 69.02 1.98 1.3607 -6 2 2 4 69.45 2.64 1.3534 5 3 1 4 70.54 3.00 1.3352 5 1 2 4 73.91 3.13 1.2824 -2 3 2 4 73.96 3.86 1.2815 -1 3 2 4 74.57 2.16 1.2727 -3 3 2 4 74.79 2.75 1.2694 -9 1 2 4 75.69 1.36 1.2566 -3 4 1 4 76.07 3.55 1.2512 -11 1 1 4 76.15 2.02 1.2500 -10 2 1 4 77.43 1.14 1.2326 5 4 0 4 77.61 1.47 1.2302 -4 4 1 4 79.04 1.20 1.2115 3 4 1 4 80.22 1.03 1.1966 -5 4 1 4 80.99 2.24 1.1871 9 3 0 4 81.55 1.27 1.1804 -9 3 1 4 82.04 1.30 1.1746 4 4 1 4 82.31 1.67 1.1714 -3 1 3 4 82.40 1.23 1.1704 12 0 0 2 82.56 5.33 1.1685 6 2 2 4 84.48 1.48 1.1468 -6 0 3 2 85.38 1.44 1.1370 8 0 2 2 85.72 1.23 1.1334 5 4 1 4 86.12 2.55 1.1291 1 1 3 4 87.20 5.06 1.1179 10 2 1 4 89.03 2.08 1.0996 -2 2 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.