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 0018503 CELL PARAMETERS: 15.1538 5.6186 3.6868 90.000 104.356 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 304.104 Density (g/cm3): 2.186 MAX. ABS. INTENSITY / VOLUME**2: 5.873433258 RIR: 0.875 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.06 25.43 7.3403 2 0 0 2 16.90 4.57 5.2474 1 1 0 4 24.12 24.05 3.6902 3 1 0 4 24.25 66.99 3.6702 4 0 0 2 24.87 1.99 3.5798 -2 0 1 2 28.97 20.42 3.0824 -1 1 1 4 29.06 1.56 3.0727 4 1 0 4 29.59 1.30 3.0191 -2 1 1 4 29.64 3.15 3.0142 0 1 1 4 30.28 100.00 2.9514 -4 0 1 2 30.43 2.52 2.9378 2 0 1 2 31.43 85.70 2.8461 -3 1 1 4 31.52 79.47 2.8379 1 1 1 4 31.85 20.53 2.8093 0 2 0 2 32.45 11.35 2.7592 1 2 0 4 34.17 49.34 2.6237 2 2 0 4 34.32 2.72 2.6129 -4 1 1 4 34.47 9.92 2.6022 5 1 0 4 36.73 2.39 2.4468 6 0 0 2 36.89 2.29 2.4364 3 2 0 4 38.05 36.58 2.3651 -5 1 1 4 39.32 46.68 2.2914 4 0 1 2 40.36 1.68 2.2345 -1 2 1 4 40.43 5.00 2.2308 4 2 0 4 40.83 33.81 2.2100 -2 2 1 4 40.87 2.28 2.2081 0 2 1 4 42.24 4.01 2.1394 -3 2 1 4 42.31 4.98 2.1359 1 2 1 4 44.53 2.87 2.0349 -4 2 1 4 44.63 25.22 2.0304 2 2 1 4 44.64 4.59 2.0298 5 2 0 4 46.20 10.63 1.9648 7 1 0 4 47.34 1.10 1.9202 -7 1 1 4 47.54 2.48 1.9127 5 1 1 4 47.71 3.09 1.9061 3 2 1 4 49.03 5.23 1.8578 1 3 0 4 49.39 30.69 1.8451 6 2 0 4 49.68 6.56 1.8351 8 0 0 2 49.93 11.80 1.8267 -8 0 1 2 50.28 2.46 1.8147 2 3 0 4 51.02 6.73 1.7899 -4 0 2 2 51.15 11.25 1.7858 0 0 2 2 51.46 1.84 1.7756 4 2 1 4 52.30 1.43 1.7491 3 3 0 4 52.59 12.88 1.7401 -3 1 2 4 52.66 7.06 1.7383 -1 1 2 4 54.61 2.61 1.6806 7 2 0 4 55.65 1.29 1.6515 -5 1 2 4 55.69 1.30 1.6505 -6 0 2 2 55.83 1.24 1.6467 1 1 2 4 56.55 4.26 1.6274 1 3 1 4 58.35 2.13 1.5814 -4 3 1 4 58.44 3.17 1.5793 2 3 1 4 58.65 1.10 1.5740 7 1 1 4 58.96 7.76 1.5665 9 1 0 4 60.64 1.97 1.5270 6 2 1 4 60.90 7.57 1.5211 -5 3 1 4 61.01 3.17 1.5186 3 3 1 4 61.52 9.93 1.5072 -7 1 2 4 61.80 1.98 1.5012 3 1 2 4 62.36 4.33 1.4891 8 0 1 2 64.10 3.23 1.4528 -6 3 1 4 65.60 2.21 1.4230 -6 2 2 4 65.82 5.22 1.4190 2 2 2 4 66.57 2.78 1.4046 0 4 0 2 66.92 4.23 1.3983 1 4 0 4 67.89 1.16 1.3806 -7 3 1 4 68.05 2.72 1.3778 5 3 1 4 69.80 5.29 1.3474 -9 1 2 4 70.16 3.51 1.3413 5 1 2 4 71.00 3.74 1.3275 -11 1 1 4 71.51 2.94 1.3193 -10 2 1 4 71.86 3.15 1.3138 -2 3 2 4 72.17 3.54 1.3089 -3 3 2 4 72.22 3.26 1.3081 -1 3 2 4 73.23 1.11 1.2925 -3 4 1 4 74.86 1.63 1.2683 -4 4 1 4 74.95 1.28 1.2671 5 4 0 4 77.15 1.53 1.2364 -9 3 1 4 77.23 1.39 1.2353 3 4 1 4 77.62 2.24 1.2301 9 3 0 4 78.12 1.57 1.2234 12 0 0 2 79.90 1.47 1.2005 -3 1 3 4 80.14 1.20 1.1975 4 4 1 4 81.11 1.01 1.1857 -5 1 3 4 81.37 1.19 1.1825 -10 2 2 4 81.76 4.61 1.1779 6 2 2 4 84.09 1.21 1.1511 -12 0 2 2 84.58 1.21 1.1457 8 0 2 2 84.71 5.46 1.1443 10 2 1 4 85.15 2.73 1.1395 1 1 3 4 85.22 1.73 1.1387 -13 1 1 4 85.51 2.43 1.1356 -8 0 3 2 86.78 2.18 1.1222 -2 2 3 4 87.48 1.27 1.1151 -9 3 2 4 88.26 1.17 1.1071 13 1 0 4 89.16 1.93 1.0983 -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.