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 = 0.2 GPa _database_code_amcsd 0003173 CELL PARAMETERS: 15.1030 5.6152 3.6963 90.000 104.190 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 303.905 Density (g/cm3): 2.188 MAX. ABS. INTENSITY / VOLUME**2: 6.459290806 RIR: 0.961 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.09 53.22 7.3211 2 0 0 2 16.91 7.01 5.2429 1 1 0 4 24.16 17.34 3.6837 3 1 0 4 24.32 58.12 3.6605 4 0 0 2 24.84 2.34 3.5842 -2 0 1 2 28.92 24.66 3.0874 -1 1 1 4 29.57 1.22 3.0212 -2 1 1 4 29.57 1.37 3.0208 0 1 1 4 30.33 100.00 2.9472 -4 0 1 2 30.34 2.49 2.9461 2 0 1 2 31.44 55.69 2.8452 -3 1 1 4 31.45 66.60 2.8445 1 1 1 4 31.87 21.79 2.8076 0 2 0 2 32.47 5.45 2.7574 1 2 0 4 34.20 51.93 2.6214 2 2 0 4 34.54 16.13 2.5965 5 1 0 4 36.83 2.64 2.4404 6 0 0 2 36.94 1.07 2.4337 3 2 0 4 38.12 30.25 2.3605 -5 1 1 4 39.24 7.92 2.2958 -6 0 1 2 39.26 41.72 2.2949 4 0 1 2 40.49 1.37 2.2278 4 2 0 4 40.83 34.24 2.2102 -2 2 1 4 40.83 3.51 2.2101 0 2 1 4 42.26 2.77 2.1384 -3 2 1 4 42.27 2.27 2.1381 1 2 1 4 44.57 7.94 2.0328 -4 2 1 4 44.58 27.68 2.0325 2 2 1 4 44.72 1.19 2.0266 5 2 0 4 46.32 3.70 1.9602 7 1 0 4 47.48 1.95 1.9148 -7 1 1 4 47.50 1.94 1.9142 5 1 1 4 47.67 1.33 1.9078 3 2 1 4 49.07 5.58 1.8566 1 3 0 4 49.49 31.58 1.8418 6 2 0 4 49.82 6.35 1.8303 8 0 0 2 50.10 9.43 1.8208 -8 0 1 2 50.12 1.66 1.8201 6 0 1 2 50.96 4.86 1.7921 -4 0 2 2 50.97 12.14 1.7918 0 0 2 2 51.41 1.48 1.7773 -6 2 1 4 51.43 2.38 1.7768 4 2 1 4 52.35 1.96 1.7476 3 3 0 4 52.50 12.13 1.7431 -3 1 2 4 52.50 5.48 1.7429 -1 1 2 4 54.72 1.64 1.6774 7 2 0 4 55.63 3.35 1.6521 -5 1 2 4 56.53 4.15 1.6280 1 3 1 4 58.41 1.25 1.5798 2 3 1 4 58.65 1.26 1.5742 7 1 1 4 59.12 6.95 1.5626 9 1 0 4 60.37 1.48 1.5332 8 2 0 4 60.63 2.06 1.5273 6 2 1 4 60.98 6.11 1.5193 -5 3 1 4 60.99 4.13 1.5191 3 3 1 4 61.58 6.00 1.5059 -7 1 2 4 61.61 1.72 1.5054 3 1 2 4 62.37 3.14 1.4888 8 0 1 2 64.20 1.33 1.4507 -6 3 1 4 65.63 2.83 1.4226 -6 2 2 4 65.65 5.08 1.4222 2 2 2 4 66.62 3.65 1.4038 0 4 0 2 66.97 2.19 1.3974 1 4 0 4 68.00 1.05 1.3787 2 4 0 4 68.02 2.87 1.3782 -7 3 1 4 68.04 2.26 1.3780 5 3 1 4 69.95 7.47 1.3450 -9 1 2 4 69.98 2.67 1.3444 5 1 2 4 71.27 1.86 1.3232 -11 1 1 4 71.74 4.06 1.3156 -10 2 1 4 71.78 1.30 1.3151 -2 3 2 4 72.11 5.25 1.3099 -3 3 2 4 72.11 3.08 1.3098 -1 3 2 4 74.93 2.70 1.2674 -4 4 1 4 77.36 1.41 1.2335 7 3 1 4 77.78 1.46 1.2279 9 3 0 4 78.37 1.22 1.2202 12 0 0 2 78.62 1.18 1.2168 6 4 0 4 80.15 1.71 1.1975 4 4 1 4 80.95 1.66 1.1876 -5 1 3 4 81.60 5.01 1.1798 6 2 2 4 84.42 1.40 1.1475 8 0 2 2 84.77 5.01 1.1436 10 2 1 4 84.81 2.40 1.1431 1 1 3 4 85.49 1.97 1.1358 -8 0 3 2 85.57 2.52 1.1349 -13 1 1 4 86.52 2.19 1.1249 -2 2 3 4 87.63 1.48 1.1135 -9 3 2 4 88.48 1.03 1.1050 0 4 2 4 89.06 1.03 1.0993 -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.