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 0018502 CELL PARAMETERS: 15.1725 5.6283 3.7110 90.000 104.631 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 306.626 Density (g/cm3): 2.168 MAX. ABS. INTENSITY / VOLUME**2: 5.875127081 RIR: 0.882 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.06 24.38 7.3402 2 0 0 2 16.87 4.98 5.2553 1 1 0 4 24.10 24.84 3.6929 3 1 0 4 24.25 66.78 3.6701 4 0 0 2 24.70 1.92 3.6048 -2 0 1 2 28.82 20.46 3.0981 -1 1 1 4 29.51 1.42 3.0271 0 1 1 4 30.10 100.00 2.9687 -4 0 1 2 30.35 2.51 2.9451 2 0 1 2 31.26 89.75 2.8614 -3 1 1 4 31.42 79.97 2.8472 1 1 1 4 31.80 23.47 2.8142 0 2 0 2 32.39 5.36 2.7638 1 2 0 4 34.12 52.88 2.6277 2 2 0 4 34.15 1.23 2.6258 -4 1 1 4 34.45 9.34 2.6032 5 1 0 4 36.73 2.34 2.4467 6 0 0 2 36.84 1.03 2.4395 3 2 0 4 37.87 36.77 2.3755 -5 1 1 4 39.29 45.80 2.2933 4 0 1 2 40.39 5.21 2.2332 4 2 0 4 40.67 36.49 2.2182 -2 2 1 4 40.74 2.45 2.2149 0 2 1 4 42.08 1.90 2.1475 -3 2 1 4 42.20 2.30 2.1415 1 2 1 4 44.35 3.34 2.0424 -4 2 1 4 44.53 28.31 2.0346 2 2 1 4 44.60 2.08 2.0316 5 2 0 4 46.19 11.12 1.9652 7 1 0 4 47.17 1.11 1.9266 -7 1 1 4 47.51 2.47 1.9137 5 1 1 4 47.63 1.51 1.9092 3 2 1 4 48.95 6.31 1.8610 1 3 0 4 49.36 33.37 1.8464 6 2 0 4 49.68 6.27 1.8351 8 0 0 2 49.76 11.88 1.8323 -8 0 1 2 50.19 1.16 1.8177 2 3 0 4 50.65 6.80 1.8024 -4 0 2 2 50.86 11.29 1.7953 0 0 2 2 51.40 2.20 1.7778 4 2 1 4 52.22 1.56 1.7518 3 3 0 4 52.24 13.29 1.7512 -3 1 2 4 52.34 7.38 1.7480 -1 1 2 4 54.57 1.25 1.6816 7 2 0 4 55.27 1.23 1.6621 -5 1 2 4 55.29 1.37 1.6614 -6 0 2 2 55.57 1.31 1.6538 1 1 2 4 56.41 5.08 1.6310 1 3 1 4 58.17 1.08 1.5859 -4 3 1 4 58.31 1.51 1.5823 2 3 1 4 58.65 1.10 1.5741 7 1 1 4 58.95 7.64 1.5667 9 1 0 4 60.61 1.94 1.5279 6 2 1 4 60.71 9.83 1.5254 -5 3 1 4 60.90 3.93 1.5211 3 3 1 4 61.12 10.59 1.5162 -7 1 2 4 61.59 2.02 1.5057 3 1 2 4 62.37 4.40 1.4887 8 0 1 2 63.90 1.57 1.4568 -6 3 1 4 65.21 2.30 1.4307 -6 2 2 4 65.57 5.45 1.4236 2 2 2 4 66.44 4.24 1.4071 0 4 0 2 66.79 2.20 1.4007 1 4 0 4 67.69 1.37 1.3842 -7 3 1 4 67.96 3.10 1.3794 5 3 1 4 69.39 5.26 1.3544 -9 1 2 4 70.01 3.55 1.3439 5 1 2 4 70.84 3.94 1.3302 -11 1 1 4 71.33 3.00 1.3222 -10 2 1 4 71.52 1.55 1.3192 -2 3 2 4 71.81 4.40 1.3146 -3 3 2 4 71.86 1.31 1.3138 4 4 0 4 71.89 4.35 1.3133 -1 3 2 4 74.65 2.32 1.2715 -4 4 1 4 76.94 2.00 1.2391 -9 3 1 4 77.55 2.76 1.2310 9 3 0 4 78.12 1.58 1.2234 12 0 0 2 78.40 1.11 1.2198 6 4 0 4 79.30 1.55 1.2081 -3 1 3 4 80.00 1.93 1.1993 4 4 1 4 80.46 1.04 1.1936 -5 1 3 4 80.94 1.38 1.1877 -10 2 2 4 81.61 5.06 1.1797 6 2 2 4 83.66 1.20 1.1559 -12 0 2 2 84.49 1.20 1.1467 8 0 2 2 84.66 2.81 1.1448 1 1 3 4 84.71 5.88 1.1443 10 2 1 4 84.80 2.43 1.1433 -8 0 3 2 85.05 1.67 1.1406 -13 1 1 4 86.19 2.31 1.1284 -2 2 3 4 87.03 1.67 1.1196 -9 3 2 4 87.39 1.13 1.1160 -8 4 1 4 88.26 1.20 1.1072 13 1 0 4 88.47 2.18 1.1051 -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.