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 = 95 K _database_code_amcsd 0018507 CELL PARAMETERS: 15.1311 5.6054 3.6644 90.000 103.953 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 301.629 Density (g/cm3): 2.204 MAX. ABS. INTENSITY / VOLUME**2: 5.878353235 RIR: 0.868 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.05 27.31 7.3423 2 0 0 2 16.93 4.20 5.2368 1 1 0 4 24.14 23.74 3.6870 3 1 0 4 24.24 67.51 3.6712 4 0 0 2 25.05 1.91 3.5545 -2 0 1 2 29.08 2.02 3.0711 4 1 0 4 29.11 19.85 3.0672 -1 1 1 4 29.75 3.99 3.0029 0 1 1 4 29.76 1.64 3.0018 -2 1 1 4 30.46 2.43 2.9350 2 0 1 2 30.49 100.00 2.9319 -4 0 1 2 31.60 79.01 2.8311 1 1 1 4 31.62 82.62 2.8292 -3 1 1 4 31.93 18.95 2.8027 0 2 0 2 32.52 14.36 2.7530 1 2 0 4 34.25 47.94 2.6184 2 2 0 4 34.48 10.38 2.6015 5 1 0 4 34.52 3.43 2.5980 -4 1 1 4 36.72 2.38 2.4474 6 0 0 2 36.96 3.01 2.4322 3 2 0 4 38.25 36.26 2.3527 -5 1 1 4 39.29 47.88 2.2929 4 0 1 2 40.49 4.64 2.2277 4 2 0 4 40.52 2.17 2.2262 -1 2 1 4 41.00 2.11 2.2013 0 2 1 4 41.01 32.84 2.2008 -2 2 1 4 42.42 6.29 2.1308 1 2 1 4 42.44 5.07 2.1300 -3 2 1 4 44.69 5.82 2.0276 5 2 0 4 44.71 24.10 2.0270 2 2 1 4 44.73 2.66 2.0260 -4 2 1 4 46.21 10.19 1.9647 7 1 0 4 47.51 2.52 1.9139 5 1 1 4 47.55 1.14 1.9122 -7 1 1 4 47.77 3.90 1.9041 3 2 1 4 49.15 4.64 1.8535 1 3 0 4 49.44 29.78 1.8435 6 2 0 4 49.67 6.82 1.8356 8 0 0 2 50.13 11.77 1.8197 -8 0 1 2 50.40 3.05 1.8108 2 3 0 4 51.39 11.30 1.7781 0 0 2 2 51.41 6.54 1.7772 -4 0 2 2 51.49 1.66 1.7747 4 2 1 4 52.42 1.38 1.7456 3 3 0 4 52.94 6.97 1.7296 -1 1 2 4 52.95 12.57 1.7292 -3 1 2 4 54.65 3.33 1.6795 7 2 0 4 56.03 1.24 1.6413 1 1 2 4 56.07 1.25 1.6402 -5 1 2 4 56.13 1.23 1.6387 -6 0 2 2 56.70 3.86 1.6235 1 3 1 4 58.56 3.89 1.5762 2 3 1 4 58.58 2.58 1.5757 -4 3 1 4 58.58 1.13 1.5757 7 1 1 4 58.96 7.96 1.5666 9 1 0 4 60.63 2.06 1.5272 6 2 1 4 61.12 2.84 1.5163 3 3 1 4 61.14 6.47 1.5157 -5 3 1 4 61.92 1.88 1.4986 3 1 2 4 61.98 9.53 1.4973 -7 1 2 4 62.26 4.28 1.4911 8 0 1 2 64.34 3.96 1.4478 -6 3 1 4 66.00 5.19 1.4155 2 2 2 4 66.04 2.19 1.4146 -6 2 2 4 66.75 2.22 1.4014 0 4 0 2 67.09 5.10 1.3950 1 4 0 4 68.11 2.51 1.3767 5 3 1 4 68.14 1.07 1.3761 -7 3 1 4 70.20 3.47 1.3406 5 1 2 4 70.29 5.29 1.3393 -9 1 2 4 71.22 3.60 1.3240 -11 1 1 4 71.75 2.96 1.3156 -10 2 1 4 72.21 3.81 1.3082 -2 3 2 4 72.47 1.17 1.3043 6 3 1 4 72.54 2.78 1.3031 -1 3 2 4 72.55 3.11 1.3029 -3 3 2 4 73.50 1.35 1.2885 -3 4 1 4 75.11 1.48 1.2648 5 4 0 4 75.14 1.37 1.2644 -4 4 1 4 77.40 1.67 1.2330 3 4 1 4 77.42 1.28 1.2328 -9 3 1 4 77.42 1.09 1.2327 -5 4 1 4 77.70 2.00 1.2290 9 3 0 4 78.10 1.57 1.2237 12 0 0 2 80.47 1.43 1.1935 -3 1 3 4 81.77 1.02 1.1778 -5 1 3 4 81.80 4.48 1.1774 6 2 2 4 81.89 1.10 1.1764 -10 2 2 4 83.78 1.12 1.1546 10 3 0 4 83.80 1.23 1.1544 5 4 1 4 84.51 1.26 1.1465 8 0 2 2 84.62 1.23 1.1452 -12 0 2 2 84.62 5.33 1.1452 10 2 1 4 85.45 1.80 1.1362 -13 1 1 4 85.53 2.68 1.1353 1 1 3 4 86.28 2.39 1.1274 -8 0 3 2 87.33 2.12 1.1166 -2 2 3 4 88.01 1.09 1.1097 -9 3 2 4 88.25 1.13 1.1073 13 1 0 4 89.89 1.80 1.0913 -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.