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 = 0.74 GPa _database_code_amcsd 0004366 CELL PARAMETERS: 14.9450 5.5880 3.6691 90.000 103.538 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 297.902 Density (g/cm3): 2.232 MAX. ABS. INTENSITY / VOLUME**2: 6.141797687 RIR: 0.896 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.18 29.95 7.2649 2 0 0 2 17.00 4.83 5.2156 1 1 0 4 24.32 25.13 3.6599 3 1 0 4 24.51 56.59 3.6324 4 0 0 2 29.12 16.70 3.0669 -1 1 1 4 29.71 1.19 3.0067 0 1 1 4 29.83 1.78 2.9948 -2 1 1 4 30.39 2.27 2.9412 2 0 1 2 30.75 100.00 2.9081 -4 0 1 2 31.55 76.91 2.8354 1 1 1 4 31.78 83.62 2.8156 -3 1 1 4 32.03 21.50 2.7940 0 2 0 2 32.64 8.15 2.7437 1 2 0 4 34.39 53.79 2.6078 2 2 0 4 34.78 1.33 2.5797 -4 1 1 4 34.80 11.21 2.5782 5 1 0 4 37.13 2.42 2.4216 6 0 0 2 37.15 1.34 2.4202 3 2 0 4 38.61 33.12 2.3321 -5 1 1 4 39.33 47.58 2.2911 4 0 1 2 40.74 4.33 2.2146 4 2 0 4 41.03 1.51 2.1996 0 2 1 4 41.12 38.21 2.1949 -2 2 1 4 42.44 2.95 2.1298 1 2 1 4 42.62 2.16 2.1213 -3 2 1 4 44.74 25.83 2.0257 2 2 1 4 44.99 3.39 2.0148 -4 2 1 4 45.01 1.98 2.0141 5 2 0 4 46.68 9.20 1.9458 7 1 0 4 47.62 2.22 1.9097 5 1 1 4 47.82 1.88 1.9020 3 2 1 4 48.10 1.33 1.8916 -7 1 1 4 49.32 6.95 1.8475 1 3 0 4 49.83 31.04 1.8299 6 2 0 4 50.23 6.95 1.8162 8 0 0 2 50.79 10.41 1.7976 -8 0 1 2 51.22 11.22 1.7836 0 0 2 2 51.53 5.65 1.7737 -4 0 2 2 51.59 2.46 1.7716 4 2 1 4 52.65 2.22 1.7385 3 3 0 4 52.83 7.56 1.7328 -1 1 2 4 52.98 12.07 1.7282 -3 1 2 4 55.12 1.57 1.6662 7 2 0 4 55.86 1.84 1.6458 1 1 2 4 56.46 1.16 1.6298 -6 0 2 2 56.80 4.57 1.6210 1 3 1 4 58.67 1.88 1.5736 2 3 1 4 58.84 1.40 1.5695 7 1 1 4 58.88 1.57 1.5685 -4 3 1 4 59.61 7.82 1.5510 9 1 0 4 60.84 2.91 1.5225 6 2 1 4 61.24 4.20 1.5135 3 3 1 4 61.52 8.77 1.5074 -5 3 1 4 61.76 1.38 1.5021 3 1 2 4 62.44 10.29 1.4874 -7 1 2 4 62.59 3.05 1.4841 8 0 1 2 64.80 1.42 1.4387 -6 3 1 4 65.88 6.31 1.4177 2 2 2 4 66.41 2.47 1.4078 -6 2 2 4 66.99 3.33 1.3970 0 4 0 2 67.34 2.90 1.3906 1 4 0 4 68.31 3.01 1.3731 5 3 1 4 68.70 1.55 1.3663 -7 3 1 4 70.11 3.09 1.3422 5 1 2 4 71.00 5.00 1.3275 -9 1 2 4 72.22 3.48 1.3081 -11 1 1 4 72.29 1.79 1.3070 -2 3 2 4 72.57 4.39 1.3027 -1 3 2 4 72.62 3.23 1.3018 -10 2 1 4 72.69 3.65 1.3008 -3 3 2 4 75.50 2.01 1.2592 -4 4 1 4 77.70 1.18 1.2289 7 3 1 4 78.20 1.53 1.2224 -9 3 1 4 78.38 2.67 1.2200 9 3 0 4 79.09 1.30 1.2108 12 0 0 2 79.15 1.12 1.2101 6 4 0 4 80.38 1.76 1.1947 -3 1 3 4 80.53 1.78 1.1928 4 4 1 4 81.80 4.79 1.1774 6 2 2 4 81.86 1.10 1.1767 -5 1 3 4 82.77 1.07 1.1661 -10 2 2 4 84.59 1.67 1.1455 8 0 2 2 85.19 5.44 1.1391 10 2 1 4 85.22 2.39 1.1388 1 1 3 4 85.80 1.15 1.1325 -12 0 2 2 86.75 2.02 1.1225 -8 0 3 2 86.76 1.83 1.1225 -13 1 1 4 87.20 2.23 1.1179 -2 2 3 4 88.68 1.08 1.1031 -8 4 1 4 88.80 1.50 1.1019 -9 3 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.