Kalicinite Thomas J O, Tellgren R, Olovsson I Acta Crystallographica B30 (1974) 1155-1166 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Locality: Synthetic Note: T = 219 K _database_code_amcsd 0018506 CELL PARAMETERS: 15.1700 5.6183 3.6885 90.000 104.297 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 304.633 Density (g/cm3): 2.183 MAX. ABS. INTENSITY / VOLUME**2: 5.811455051 RIR: 0.867 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.04 26.95 7.3501 2 0 0 2 16.89 4.57 5.2481 1 1 0 4 24.10 23.78 3.6929 3 1 0 4 24.22 68.56 3.6750 4 0 0 2 24.86 2.00 3.5809 -2 0 1 2 28.96 20.34 3.0834 -1 1 1 4 29.03 1.95 3.0755 4 1 0 4 29.58 1.59 3.0197 -2 1 1 4 29.62 3.81 3.0157 0 1 1 4 30.27 100.00 2.9525 -4 0 1 2 30.39 2.34 2.9414 2 0 1 2 31.43 86.19 2.8467 -3 1 1 4 31.50 80.34 2.8400 1 1 1 4 31.86 19.84 2.8091 0 2 0 2 32.45 13.31 2.7592 1 2 0 4 34.17 47.92 2.6240 2 2 0 4 34.31 3.20 2.6136 -4 1 1 4 34.43 10.15 2.6049 5 1 0 4 36.68 2.34 2.4500 6 0 0 2 36.88 2.68 2.4371 3 2 0 4 38.03 37.05 2.3659 -5 1 1 4 39.26 47.30 2.2947 4 0 1 2 40.15 1.01 2.2458 6 1 0 4 40.36 1.99 2.2348 -1 2 1 4 40.42 4.77 2.2318 4 2 0 4 40.83 32.91 2.2102 -2 2 1 4 40.86 2.09 2.2086 0 2 1 4 42.24 4.71 2.1396 -3 2 1 4 42.30 5.75 2.1367 1 2 1 4 44.52 2.70 2.0352 -4 2 1 4 44.60 24.69 2.0315 2 2 1 4 44.61 5.25 2.0311 5 2 0 4 46.15 10.62 1.9671 7 1 0 4 47.31 1.09 1.9213 -7 1 1 4 47.47 2.54 1.9151 5 1 1 4 47.68 3.74 1.9075 3 2 1 4 49.04 4.96 1.8578 1 3 0 4 49.36 30.07 1.8464 6 2 0 4 49.61 6.53 1.8375 8 0 0 2 49.89 11.96 1.8281 -8 0 1 2 50.28 2.93 1.8148 2 3 0 4 51.01 6.78 1.7904 -4 0 2 2 51.11 11.35 1.7871 0 0 2 2 51.42 1.74 1.7771 4 2 1 4 52.30 1.41 1.7494 3 3 0 4 52.58 12.89 1.7407 -3 1 2 4 52.63 7.07 1.7392 -1 1 2 4 54.56 3.14 1.6820 7 2 0 4 55.64 1.29 1.6519 -5 1 2 4 55.67 1.32 1.6509 -6 0 2 2 55.78 1.26 1.6480 1 1 2 4 56.54 3.97 1.6277 1 3 1 4 58.35 2.47 1.5815 -4 3 1 4 58.42 3.67 1.5797 2 3 1 4 58.56 1.09 1.5762 7 1 1 4 58.88 7.99 1.5684 9 1 0 4 60.58 1.95 1.5286 6 2 1 4 60.90 6.97 1.5213 -5 3 1 4 60.99 3.03 1.5193 3 3 1 4 61.51 9.86 1.5077 -7 1 2 4 61.73 1.93 1.5027 3 1 2 4 62.25 4.37 1.4913 8 0 1 2 64.08 3.79 1.4531 -6 3 1 4 65.59 2.16 1.4233 -6 2 2 4 65.76 5.17 1.4200 2 2 2 4 66.58 2.37 1.4046 0 4 0 2 66.92 4.78 1.3982 1 4 0 4 67.87 1.11 1.3810 -7 3 1 4 68.00 2.58 1.3787 5 3 1 4 69.77 5.30 1.3479 -9 1 2 4 70.07 3.54 1.3429 5 1 2 4 70.93 3.68 1.3286 -11 1 1 4 71.46 2.87 1.3202 -10 2 1 4 71.84 3.65 1.3140 -2 3 2 4 72.15 3.28 1.3091 -3 3 2 4 72.20 3.03 1.3085 -1 3 2 4 72.36 1.12 1.3059 6 3 1 4 73.23 1.26 1.2925 -3 4 1 4 74.86 1.42 1.2684 -4 4 1 4 74.93 1.46 1.2674 5 4 0 4 77.11 1.42 1.2369 -9 3 1 4 77.21 1.56 1.2356 3 4 1 4 77.55 2.06 1.2310 9 3 0 4 78.00 1.55 1.2250 12 0 0 2 79.86 1.47 1.2011 -3 1 3 4 80.11 1.00 1.1980 4 4 1 4 81.34 1.18 1.1830 -10 2 2 4 81.66 4.53 1.1792 6 2 2 4 83.62 1.13 1.1564 5 4 1 4 83.62 1.04 1.1563 10 3 0 4 84.04 1.22 1.1517 -12 0 2 2 84.43 1.21 1.1473 8 0 2 2 84.57 5.31 1.1458 10 2 1 4 85.07 2.73 1.1404 1 1 3 4 85.13 1.76 1.1397 -13 1 1 4 85.48 2.45 1.1359 -8 0 3 2 86.73 2.16 1.1227 -2 2 3 4 87.45 1.14 1.1153 -9 3 2 4 88.12 1.18 1.1086 13 1 0 4 89.13 1.89 1.0986 -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.