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 = 298 K _database_code_amcsd 0018505 CELL PARAMETERS: 15.1948 5.6307 3.7107 90.000 104.567 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 307.272 Density (g/cm3): 2.164 MAX. ABS. INTENSITY / VOLUME**2: 5.801011145 RIR: 0.873 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.04 26.06 7.3532 2 0 0 2 16.86 4.71 5.2584 1 1 0 4 24.07 24.03 3.6973 3 1 0 4 24.21 68.60 3.6766 4 0 0 2 24.70 1.97 3.6043 -2 0 1 2 28.82 20.30 3.0983 -1 1 1 4 29.01 1.32 3.0784 4 1 0 4 29.42 1.09 3.0356 -2 1 1 4 29.50 2.49 3.0279 0 1 1 4 30.10 100.00 2.9694 -4 0 1 2 30.32 2.33 2.9479 2 0 1 2 31.26 89.20 2.8617 -3 1 1 4 31.40 81.11 2.8488 1 1 1 4 31.78 21.76 2.8154 0 2 0 2 32.38 9.17 2.7651 1 2 0 4 34.10 50.59 2.6292 2 2 0 4 34.14 2.22 2.6265 -4 1 1 4 34.40 9.77 2.6070 5 1 0 4 36.66 2.31 2.4511 6 0 0 2 36.81 1.72 2.4414 3 2 0 4 37.86 37.39 2.3766 -5 1 1 4 39.23 46.46 2.2965 4 0 1 2 40.21 1.29 2.2428 -1 2 1 4 40.35 5.00 2.2353 4 2 0 4 40.66 35.00 2.2187 -2 2 1 4 40.72 2.23 2.2157 0 2 1 4 42.07 3.16 2.1480 -3 2 1 4 42.18 3.87 2.1425 1 2 1 4 44.34 2.98 2.0430 -4 2 1 4 44.50 26.75 2.0360 2 2 1 4 44.55 3.46 2.0338 5 2 0 4 46.12 11.01 1.9684 7 1 0 4 47.13 1.06 1.9282 -7 1 1 4 47.44 2.51 1.9164 5 1 1 4 47.59 2.60 1.9108 3 2 1 4 48.92 5.76 1.8618 1 3 0 4 49.29 32.01 1.8486 6 2 0 4 49.59 6.33 1.8383 8 0 0 2 49.71 12.06 1.8342 -8 0 1 2 50.16 1.95 1.8186 2 3 0 4 50.65 6.87 1.8021 -4 0 2 2 50.85 11.35 1.7957 0 0 2 2 51.34 1.98 1.7796 4 2 1 4 52.18 1.54 1.7528 3 3 0 4 52.24 13.22 1.7511 -3 1 2 4 52.34 7.29 1.7481 -1 1 2 4 54.50 2.15 1.6838 7 2 0 4 55.27 1.25 1.6620 -5 1 2 4 55.29 1.39 1.6614 -6 0 2 2 55.55 1.32 1.6545 1 1 2 4 56.38 4.53 1.6318 1 3 1 4 58.14 1.79 1.5865 -4 3 1 4 58.28 2.54 1.5832 2 3 1 4 58.55 1.10 1.5766 7 1 1 4 58.85 7.81 1.5693 9 1 0 4 60.52 1.90 1.5298 6 2 1 4 60.68 8.53 1.5261 -5 3 1 4 60.86 3.59 1.5222 3 3 1 4 61.11 10.37 1.5164 -7 1 2 4 61.54 1.98 1.5068 3 1 2 4 62.25 4.40 1.4913 8 0 1 2 63.86 2.63 1.4576 -6 3 1 4 65.20 2.23 1.4308 -6 2 2 4 65.53 5.33 1.4244 2 2 2 4 66.41 3.30 1.4077 0 4 0 2 66.76 3.50 1.4013 1 4 0 4 67.64 1.27 1.3850 -7 3 1 4 67.89 2.88 1.3806 5 3 1 4 69.36 5.30 1.3549 -9 1 2 4 69.92 3.57 1.3454 5 1 2 4 70.74 3.85 1.3318 -11 1 1 4 71.25 2.94 1.3236 -10 2 1 4 71.50 2.57 1.3195 -2 3 2 4 71.79 3.86 1.3148 -3 3 2 4 71.81 1.05 1.3146 4 4 0 4 71.87 3.79 1.3136 -1 3 2 4 74.61 1.86 1.2720 -4 4 1 4 74.77 1.10 1.2697 5 4 0 4 76.87 1.77 1.2402 -9 3 1 4 77.02 1.14 1.2381 3 4 1 4 77.44 2.43 1.2324 9 3 0 4 77.96 1.56 1.2255 12 0 0 2 79.31 1.54 1.2081 -3 1 3 4 79.93 1.44 1.2002 4 4 1 4 80.47 1.00 1.1935 -5 1 3 4 80.90 1.32 1.1883 -10 2 2 4 81.51 4.83 1.1810 6 2 2 4 83.59 1.21 1.1567 -12 0 2 2 84.35 1.19 1.1483 8 0 2 2 84.54 5.58 1.1461 10 2 1 4 84.63 2.78 1.1452 1 1 3 4 84.80 2.46 1.1432 -8 0 3 2 84.91 1.69 1.1421 -13 1 1 4 86.18 2.25 1.1285 -2 2 3 4 86.99 1.40 1.1201 -9 3 2 4 88.07 1.21 1.1091 13 1 0 4 88.48 2.07 1.1050 -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.