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 GPa _database_code_amcsd 0003172 CELL PARAMETERS: 15.1920 5.6290 3.7067 90.000 104.538 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 306.832 Density (g/cm3): 2.167 MAX. ABS. INTENSITY / VOLUME**2: 5.532758039 RIR: 0.831 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.04 30.46 7.3528 2 0 0 2 16.87 5.40 5.2570 1 1 0 4 24.07 24.15 3.6967 3 1 0 4 24.21 76.63 3.6764 4 0 0 2 24.73 2.34 3.6004 -2 0 1 2 28.84 20.53 3.0957 -1 1 1 4 29.01 1.75 3.0781 4 1 0 4 29.45 1.24 3.0330 -2 1 1 4 29.52 3.32 3.0256 0 1 1 4 30.12 97.61 2.9669 -4 0 1 2 30.34 1.86 2.9462 2 0 1 2 31.28 100.00 2.8594 -3 1 1 4 31.42 87.72 2.8470 1 1 1 4 31.79 23.15 2.8145 0 2 0 2 32.39 10.39 2.7643 1 2 0 4 34.11 51.35 2.6285 2 2 0 4 34.16 2.41 2.6246 -4 1 1 4 34.40 10.30 2.6067 5 1 0 4 36.67 2.23 2.4509 6 0 0 2 36.82 1.46 2.4408 3 2 0 4 37.88 41.16 2.3751 -5 1 1 4 39.24 48.14 2.2958 4 0 1 2 40.23 1.53 2.2415 -1 2 1 4 40.36 4.60 2.2348 4 2 0 4 40.69 35.12 2.2174 -2 2 1 4 40.75 2.06 2.2145 0 2 1 4 42.09 3.78 2.1467 -3 2 1 4 42.20 3.57 2.1415 1 2 1 4 44.36 2.74 2.0419 -4 2 1 4 44.52 27.71 2.0351 2 2 1 4 44.56 3.79 2.0334 5 2 0 4 46.12 12.31 1.9682 7 1 0 4 47.45 2.52 1.9159 5 1 1 4 47.61 2.85 1.9101 3 2 1 4 48.94 6.09 1.8612 1 3 0 4 49.16 1.35 1.8533 -2 0 2 2 49.30 32.55 1.8483 6 2 0 4 49.59 5.60 1.8382 8 0 0 2 49.73 13.14 1.8334 -8 0 1 2 50.18 2.54 1.8181 2 3 0 4 50.71 7.87 1.8002 -4 0 2 2 50.90 11.22 1.7940 0 0 2 2 51.36 2.28 1.7790 4 2 1 4 52.20 1.49 1.7523 3 3 0 4 52.30 13.22 1.7493 -3 1 2 4 52.39 7.85 1.7464 -1 1 2 4 54.51 2.29 1.6835 7 2 0 4 55.33 1.17 1.6604 -5 1 2 4 55.35 1.63 1.6598 -6 0 2 2 55.59 1.71 1.6531 1 1 2 4 56.41 4.32 1.6311 1 3 1 4 58.17 2.08 1.5858 -4 3 1 4 58.30 2.88 1.5826 2 3 1 4 58.56 1.02 1.5764 7 1 1 4 58.85 8.75 1.5692 9 1 0 4 60.54 1.72 1.5295 6 2 1 4 60.71 8.78 1.5254 -5 3 1 4 60.88 4.17 1.5217 3 3 1 4 61.17 10.72 1.5151 -7 1 2 4 61.59 1.95 1.5059 3 1 2 4 62.26 4.98 1.4911 8 0 1 2 63.89 2.95 1.4569 -6 3 1 4 65.26 1.92 1.4297 -6 2 2 4 65.58 5.29 1.4235 2 2 2 4 66.44 3.21 1.4073 0 4 0 2 66.78 3.77 1.4009 1 4 0 4 67.67 1.42 1.3845 -7 3 1 4 67.91 2.69 1.3803 5 3 1 4 69.42 5.22 1.3539 -9 1 2 4 69.96 4.04 1.3447 5 1 2 4 70.76 3.89 1.3314 -11 1 1 4 71.27 2.46 1.3232 -10 2 1 4 71.56 2.79 1.3185 -2 3 2 4 71.85 3.95 1.3139 -3 3 2 4 71.93 4.17 1.3127 -1 3 2 4 74.65 1.64 1.2715 -4 4 1 4 74.79 1.34 1.2694 5 4 0 4 76.90 2.00 1.2397 -9 3 1 4 77.05 1.26 1.2377 3 4 1 4 77.46 2.26 1.2322 9 3 0 4 77.97 1.63 1.2255 12 0 0 2 79.41 1.70 1.2068 -3 1 3 4 79.96 1.34 1.1998 4 4 1 4 80.96 1.64 1.1876 -10 2 2 4 81.54 4.99 1.1805 6 2 2 4 83.65 1.20 1.1561 -12 0 2 2 84.38 1.19 1.1479 8 0 2 2 84.56 5.72 1.1460 10 2 1 4 84.72 2.81 1.1442 1 1 3 4 84.91 2.58 1.1421 -8 0 3 2 84.94 1.77 1.1418 -13 1 1 4 86.28 2.21 1.1274 -2 2 3 4 87.05 1.19 1.1194 -9 3 2 4 88.08 1.34 1.1090 13 1 0 4 88.59 2.44 1.1040 -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.