Kalicinite Kagi H, Nagai T, Loveday J S, Wada C, Parise J B American Mineralogist 88 (2003) 1446-1451 Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.3 GPa _database_code_amcsd 0003175 CELL PARAMETERS: 14.4810 5.5100 3.6160 90.000 101.940 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 282.280 Density (g/cm3): 2.355 MAX. ABS. INTENSITY / VOLUME**2: 6.376244642 RIR: 0.881 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.50 26.35 7.0839 2 0 0 2 17.27 2.57 5.1353 1 1 0 4 20.42 1.33 4.3492 2 1 0 4 24.83 26.05 3.5857 3 1 0 4 25.14 69.32 3.5419 4 0 0 2 25.17 1.15 3.5378 0 0 1 2 29.57 15.33 3.0211 -1 1 1 4 30.49 4.61 2.9318 2 0 1 2 31.77 72.09 2.8164 1 1 1 4 31.84 100.00 2.8106 -4 0 1 2 32.50 22.55 2.7550 0 2 0 2 32.65 74.90 2.7430 -3 1 1 4 33.13 4.87 2.7043 1 2 0 4 34.94 52.64 2.5677 2 2 0 4 35.63 7.54 2.5199 5 1 0 4 35.87 2.29 2.5037 -4 1 1 4 38.11 1.78 2.3613 6 0 0 2 39.55 47.37 2.2784 4 0 1 2 39.92 28.41 2.2581 -5 1 1 4 41.53 4.43 2.1746 4 2 0 4 41.55 3.07 2.1737 0 2 1 4 41.90 44.54 2.1563 -2 2 1 4 42.89 2.56 2.1087 1 2 1 4 45.16 34.41 2.0077 2 2 1 4 45.94 1.70 1.9753 5 2 0 4 46.14 4.85 1.9674 -4 2 1 4 47.88 12.41 1.8998 7 1 0 4 48.03 4.80 1.8944 5 1 1 4 50.08 7.26 1.8214 1 3 0 4 50.93 31.80 1.7929 6 2 0 4 51.61 4.49 1.7710 8 0 0 2 51.68 12.93 1.7689 0 0 2 2 52.09 2.51 1.7558 4 2 1 4 52.80 11.19 1.7337 -8 0 1 2 52.85 4.29 1.7322 -4 0 2 2 53.51 7.19 1.7125 -1 1 2 4 53.53 2.67 1.7118 3 3 0 4 54.09 13.51 1.6955 -3 1 2 4 57.52 3.95 1.6021 1 3 1 4 59.38 1.36 1.5565 2 3 1 4 59.53 1.05 1.5528 7 1 1 4 61.24 7.94 1.5136 9 1 0 4 61.55 1.51 1.5066 6 2 1 4 61.97 2.98 1.4975 3 3 1 4 62.04 1.89 1.4959 3 1 2 4 63.02 8.47 1.4750 -5 3 1 4 63.41 4.15 1.4668 8 0 1 2 64.65 10.44 1.4418 -7 1 2 4 66.39 5.90 1.4082 2 2 2 4 68.06 4.09 1.3775 0 4 0 2 68.40 2.77 1.3715 -6 2 2 4 68.43 2.01 1.3710 1 4 0 4 69.17 3.58 1.3581 5 3 1 4 70.44 1.83 1.3367 5 1 2 4 70.66 1.56 1.3331 -7 3 1 4 73.19 1.01 1.2931 6 0 2 2 73.54 1.33 1.2878 -2 3 2 4 73.65 4.68 1.2862 -1 3 2 4 73.81 1.21 1.2838 4 4 0 4 73.86 4.12 1.2830 -9 1 2 4 74.14 4.09 1.2790 -3 3 2 4 75.09 3.49 1.2651 -11 1 1 4 75.26 2.29 1.2626 -10 2 1 4 76.39 1.20 1.2467 2 4 1 4 77.11 2.36 1.2369 -4 4 1 4 78.82 1.15 1.2142 7 3 1 4 80.33 2.60 1.1952 9 3 0 4 80.72 1.73 1.1905 -9 3 1 4 80.77 1.24 1.1898 6 4 0 4 81.53 1.33 1.1806 12 0 0 2 81.69 2.39 1.1788 4 4 1 4 81.89 1.21 1.1764 -3 1 3 4 82.38 6.40 1.1706 6 2 2 4 83.40 1.16 1.1589 -7 3 2 4 83.96 1.50 1.1526 -5 1 3 4 85.17 1.52 1.1392 8 0 2 2 85.94 2.38 1.1310 1 1 3 4 86.12 1.34 1.1291 -10 2 2 4 86.67 5.10 1.1234 10 2 1 4 87.63 1.37 1.1135 11 1 1 4 88.63 2.61 1.1035 -2 2 3 4 89.83 1.17 1.0918 -12 0 2 2 89.90 1.57 1.0912 -8 0 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.