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 Note z-coordinate of O3 has been modified with a negative sign _database_code_amcsd 0018504 CELL PARAMETERS: 15.1150 5.6044 3.6609 90.000 103.980 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 300.931 Density (g/cm3): 2.209 MAX. ABS. INTENSITY / VOLUME**2: 5.890770599 RIR: 0.868 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.07 26.75 7.3336 2 0 0 2 16.94 4.11 5.2352 1 1 0 4 24.16 23.84 3.6842 3 1 0 4 24.27 67.62 3.6668 4 0 0 2 25.07 1.96 3.5514 -2 0 1 2 29.10 1.97 3.0684 4 1 0 4 29.14 20.03 3.0649 -1 1 1 4 29.78 3.72 3.0005 0 1 1 4 29.78 1.42 2.9998 -2 1 1 4 30.50 2.49 2.9313 2 0 1 2 30.51 100.00 2.9295 -4 0 1 2 31.63 78.91 2.8284 1 1 1 4 31.65 82.61 2.8274 -3 1 1 4 31.94 19.48 2.8022 0 2 0 2 32.53 13.18 2.7524 1 2 0 4 34.26 49.17 2.6176 2 2 0 4 34.51 10.40 2.5990 5 1 0 4 34.55 3.27 2.5962 -4 1 1 4 36.77 2.32 2.4445 6 0 0 2 36.97 2.74 2.4312 3 2 0 4 38.28 36.41 2.3510 -5 1 1 4 39.35 48.27 2.2899 4 0 1 2 40.52 4.75 2.2265 4 2 0 4 40.54 2.01 2.2252 -1 2 1 4 41.02 2.27 2.2001 0 2 1 4 41.03 33.66 2.1999 -2 2 1 4 42.45 5.81 2.1295 1 2 1 4 42.46 4.66 2.1291 -3 2 1 4 44.72 5.41 2.0263 5 2 0 4 44.74 24.54 2.0256 2 2 1 4 44.75 2.79 2.0250 -4 2 1 4 46.26 10.34 1.9626 7 1 0 4 47.57 2.45 1.9116 5 1 1 4 47.59 1.13 1.9106 -7 1 1 4 47.81 3.51 1.9026 3 2 1 4 49.16 4.77 1.8532 1 3 0 4 49.48 30.49 1.8421 6 2 0 4 49.73 6.99 1.8334 8 0 0 2 50.18 11.87 1.8180 -8 0 1 2 50.41 2.83 1.8103 2 3 0 4 51.45 11.33 1.7762 0 0 2 2 51.46 6.65 1.7757 -4 0 2 2 51.54 1.72 1.7732 4 2 1 4 52.43 1.41 1.7451 3 3 0 4 52.99 6.99 1.7280 -1 1 2 4 53.00 12.53 1.7278 -3 1 2 4 54.70 3.03 1.6781 7 2 0 4 56.09 1.26 1.6396 1 1 2 4 56.12 1.25 1.6390 -5 1 2 4 56.18 1.21 1.6373 -6 0 2 2 56.72 4.05 1.6229 1 3 1 4 58.60 3.65 1.5754 2 3 1 4 58.61 2.36 1.5751 -4 3 1 4 58.66 1.15 1.5738 7 1 1 4 59.03 7.83 1.5649 9 1 0 4 60.70 2.15 1.5258 6 2 1 4 61.16 2.95 1.5154 3 3 1 4 61.17 6.82 1.5151 -5 3 1 4 61.99 1.92 1.4969 3 1 2 4 62.03 9.57 1.4961 -7 1 2 4 62.35 4.22 1.4892 8 0 1 2 64.38 3.67 1.4472 -6 3 1 4 66.07 5.29 1.4142 2 2 2 4 66.09 2.22 1.4137 -6 2 2 4 66.76 2.50 1.4011 0 4 0 2 67.11 4.80 1.3948 1 4 0 4 68.16 2.61 1.3757 5 3 1 4 68.18 1.11 1.3754 -7 3 1 4 70.30 3.47 1.3390 5 1 2 4 70.35 5.34 1.3382 -9 1 2 4 71.30 3.67 1.3228 -11 1 1 4 71.81 3.03 1.3145 -10 2 1 4 72.26 3.53 1.3074 -2 3 2 4 72.53 1.07 1.3033 6 3 1 4 72.59 2.92 1.3023 -1 3 2 4 72.60 3.29 1.3022 -3 3 2 4 73.52 1.28 1.2881 -3 4 1 4 75.14 1.39 1.2643 5 4 0 4 75.17 1.51 1.2640 -4 4 1 4 77.44 1.57 1.2325 3 4 1 4 77.45 1.03 1.2323 -5 4 1 4 77.47 1.36 1.2320 -9 3 1 4 77.77 2.13 1.2281 9 3 0 4 78.21 1.57 1.2223 12 0 0 2 80.34 1.07 1.1951 4 4 1 4 80.56 1.45 1.1924 -3 1 3 4 81.85 1.04 1.1768 -5 1 3 4 81.91 4.50 1.1761 6 2 2 4 81.96 1.13 1.1755 -10 2 2 4 83.85 1.16 1.1538 5 4 1 4 83.86 1.03 1.1536 10 3 0 4 84.65 1.25 1.1450 8 0 2 2 84.71 1.23 1.1442 -12 0 2 2 84.74 5.43 1.1440 10 2 1 4 85.56 1.79 1.1351 -13 1 1 4 85.65 2.70 1.1341 1 1 3 4 86.37 2.40 1.1264 -8 0 3 2 87.42 2.12 1.1156 -2 2 3 4 88.08 1.17 1.1090 -9 3 2 4 88.37 1.15 1.1061 13 1 0 4 89.97 1.85 1.0905 -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.