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 = 0.00 GPa _database_code_amcsd 0004364 CELL PARAMETERS: 15.1950 5.6298 3.7088 90.000 104.534 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 307.116 Density (g/cm3): 2.165 MAX. ABS. INTENSITY / VOLUME**2: 5.887346735 RIR: 0.885 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.03 35.23 7.3544 2 0 0 2 16.86 5.06 5.2578 1 1 0 4 24.07 22.66 3.6973 3 1 0 4 24.20 60.92 3.6772 4 0 0 2 24.72 1.76 3.6022 -2 0 1 2 28.83 17.94 3.0971 -1 1 1 4 29.00 1.27 3.0787 4 1 0 4 29.44 1.10 3.0343 -2 1 1 4 29.51 2.43 3.0270 0 1 1 4 30.11 100.00 2.9680 -4 0 1 2 30.32 1.52 2.9478 2 0 1 2 31.27 85.51 2.8604 -3 1 1 4 31.41 79.30 2.8483 1 1 1 4 31.79 20.57 2.8149 0 2 0 2 32.38 10.33 2.7647 1 2 0 4 34.10 53.04 2.6289 2 2 0 4 34.15 2.25 2.6255 -4 1 1 4 34.40 11.94 2.6073 5 1 0 4 36.66 2.43 2.4515 6 0 0 2 36.82 1.87 2.4412 3 2 0 4 37.87 37.15 2.3758 -5 1 1 4 38.10 1.44 2.3619 3 1 1 4 38.94 1.24 2.3128 -6 0 1 2 39.22 46.53 2.2968 4 0 1 2 40.22 1.37 2.2422 -1 2 1 4 40.35 3.33 2.2352 4 2 0 4 40.68 35.11 2.2180 -2 2 1 4 40.73 1.64 2.2152 0 2 1 4 42.08 3.44 2.1473 -3 2 1 4 42.19 3.38 2.1422 1 2 1 4 44.35 3.03 2.0424 -4 2 1 4 44.50 25.01 2.0358 2 2 1 4 44.55 3.36 2.0338 5 2 0 4 46.11 8.10 1.9686 7 1 0 4 47.14 1.52 1.9277 -7 1 1 4 47.43 1.75 1.9167 5 1 1 4 47.59 2.68 1.9107 3 2 1 4 48.93 5.49 1.8615 1 3 0 4 49.29 32.06 1.8487 6 2 0 4 49.58 7.20 1.8386 8 0 0 2 49.72 11.39 1.8338 -8 0 1 2 50.04 1.18 1.8227 6 0 1 2 50.17 1.85 1.8183 2 3 0 4 50.68 6.77 1.8011 -4 0 2 2 50.87 10.84 1.7951 0 0 2 2 51.34 2.07 1.7796 4 2 1 4 52.19 1.43 1.7526 3 3 0 4 52.27 12.36 1.7502 -3 1 2 4 52.36 7.60 1.7474 -1 1 2 4 54.49 2.32 1.6838 7 2 0 4 55.30 1.19 1.6611 -5 1 2 4 55.33 1.28 1.6605 -6 0 2 2 55.56 1.96 1.6540 1 1 2 4 56.40 4.23 1.6315 1 3 1 4 58.16 1.92 1.5861 -4 3 1 4 58.29 2.60 1.5830 2 3 1 4 58.53 1.34 1.5769 7 1 1 4 58.84 7.81 1.5695 9 1 0 4 60.52 2.61 1.5299 6 2 1 4 60.70 8.21 1.5257 -5 3 1 4 60.86 4.19 1.5221 3 3 1 4 61.15 9.85 1.5156 -7 1 2 4 61.55 1.37 1.5067 3 1 2 4 62.24 3.43 1.4916 8 0 1 2 63.88 2.68 1.4572 -6 3 1 4 65.24 2.32 1.4302 -6 2 2 4 65.55 5.70 1.4241 2 2 2 4 66.42 3.20 1.4074 0 4 0 2 66.77 3.69 1.4011 1 4 0 4 67.66 1.46 1.3848 -7 3 1 4 67.89 2.38 1.3806 5 3 1 4 69.39 5.72 1.3543 -9 1 2 4 69.92 3.59 1.3453 5 1 2 4 70.75 3.48 1.3317 -11 1 1 4 71.26 3.47 1.3234 -10 2 1 4 71.53 2.52 1.3190 -2 3 2 4 71.82 3.55 1.3143 -3 3 2 4 71.90 3.84 1.3132 -1 3 2 4 74.63 1.84 1.2717 -4 4 1 4 74.78 1.05 1.2696 5 4 0 4 76.88 1.49 1.2400 -9 3 1 4 77.03 1.19 1.2380 3 4 1 4 77.44 2.24 1.2324 9 3 0 4 77.95 1.49 1.2257 12 0 0 2 79.35 1.74 1.2075 -3 1 3 4 79.94 1.40 1.2001 4 4 1 4 80.52 1.02 1.1928 -5 1 3 4 80.93 1.22 1.1879 -10 2 2 4 81.50 4.54 1.1810 6 2 2 4 83.62 1.25 1.1564 -12 0 2 2 84.33 1.48 1.1484 8 0 2 2 84.53 5.59 1.1463 10 2 1 4 84.66 2.50 1.1449 1 1 3 4 84.86 2.42 1.1426 -8 0 3 2 84.91 1.97 1.1420 -13 1 1 4 86.23 2.08 1.1280 -2 2 3 4 87.02 1.47 1.1197 -9 3 2 4 88.53 1.99 1.1045 -6 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.