KHCO3 Allan D R, Marshall W G, Pulham C R American Mineralogist 92 (2007) 1018-1025 The high-pressure crystal structure of potassium hydrogen carbonate (KHCO3) Sample: P = 4.10 GPa _database_code_amcsd 0004373 CELL PARAMETERS: 6.2435 5.3363 4.2448 95.216 100.935 109.167 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 129.358 Density (g/cm3): 2.570 MAX. ABS. INTENSITY / VOLUME**2: 4.989689626 RIR: 0.632 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.45 2.49 5.7345 1 0 0 2 19.05 1.48 4.6586 -1 1 0 2 21.62 5.60 4.1105 0 0 1 2 23.50 11.86 3.7853 -1 0 1 2 27.59 7.91 3.2331 1 1 0 2 28.45 21.32 3.1368 -1 1 1 2 29.48 60.31 3.0303 1 -1 1 2 29.55 7.31 3.0234 1 0 1 2 29.97 9.04 2.9813 -2 1 0 2 30.42 54.81 2.9384 0 1 1 2 30.83 39.13 2.9003 -1 -1 1 2 31.19 83.05 2.8673 2 0 0 2 33.68 100.00 2.6611 -2 0 1 2 33.86 29.74 2.6474 -1 2 0 2 34.54 99.86 2.5971 -2 1 1 2 36.14 11.34 2.4856 0 2 0 2 38.66 31.24 2.3293 -2 2 0 2 39.13 71.76 2.3020 0 -2 1 2 39.20 6.51 2.2982 1 -2 1 2 39.82 3.96 2.2638 2 -1 1 2 41.55 2.59 2.1734 2 1 0 2 41.83 7.49 2.1597 -1 2 1 2 41.90 16.08 2.1561 -2 -1 1 2 42.44 40.92 2.1299 2 0 1 2 43.15 3.08 2.0964 -1 0 2 2 44.01 15.66 2.0575 -2 2 1 2 44.06 46.24 2.0552 0 0 2 2 44.36 4.10 2.0423 -3 1 0 2 44.56 23.46 2.0334 1 2 0 2 44.85 14.17 2.0208 0 -1 2 2 45.42 25.15 1.9969 2 -2 1 2 45.67 31.19 1.9866 0 2 1 2 45.89 5.01 1.9776 -3 1 1 2 46.34 3.39 1.9594 -1 -1 2 2 47.55 2.08 1.9123 -3 0 1 2 47.57 3.10 1.9115 3 0 0 2 47.74 3.77 1.9050 -1 1 2 2 48.07 5.18 1.8926 -2 0 2 2 48.77 2.23 1.8674 -3 2 0 2 50.16 9.18 1.8186 -2 1 2 2 50.55 3.37 1.8055 1 0 2 2 51.61 5.87 1.7709 -3 2 1 2 51.73 5.50 1.7672 -1 3 0 2 52.29 8.21 1.7497 2 1 1 2 52.91 1.57 1.7305 0 -2 2 2 53.16 11.61 1.7229 -2 -1 2 2 53.17 4.71 1.7225 -2 3 0 2 53.61 3.55 1.7095 3 -1 1 2 56.11 1.42 1.6393 -3 -1 1 2 56.18 4.06 1.6373 3 -2 1 2 56.28 2.55 1.6345 -1 -2 2 2 56.33 1.89 1.6333 0 -3 1 2 56.97 11.77 1.6165 2 2 0 2 57.44 1.29 1.6043 3 1 0 2 58.71 1.55 1.5726 1 1 2 2 58.72 1.33 1.5724 -1 2 2 2 59.01 4.31 1.5654 -1 3 1 2 59.53 3.92 1.5529 -3 3 0 2 60.26 1.10 1.5358 -4 1 1 2 60.56 11.07 1.5288 -4 1 0 2 61.17 6.67 1.5152 2 -2 2 2 61.32 4.09 1.5117 2 0 2 2 62.29 4.44 1.4906 -4 2 0 2 63.30 3.46 1.4692 0 2 2 2 63.55 4.31 1.4641 -4 0 1 2 64.12 2.76 1.4523 -3 -1 2 2 64.23 2.77 1.4501 -2 -2 2 2 64.93 2.51 1.4362 3 -3 1 2 66.03 6.24 1.4149 1 -3 2 2 67.58 1.87 1.3862 -1 -1 3 2 68.90 13.63 1.3627 -4 1 2 2 69.87 1.34 1.3463 -3 -2 1 2 70.68 1.21 1.3328 3 -1 2 2 71.12 3.85 1.3256 -1 -3 2 2 71.24 3.56 1.3237 -2 4 0 2 71.54 5.50 1.3189 -2 1 3 2 71.69 2.89 1.3164 -2 -1 3 2 71.81 1.83 1.3146 -1 4 0 2 72.02 4.79 1.3112 -4 3 1 2 72.11 1.66 1.3098 1 2 2 2 72.21 1.68 1.3082 3 2 0 2 72.60 1.54 1.3023 1 -1 3 2 72.62 5.65 1.3019 -4 -1 1 2 72.73 3.19 1.3002 -2 3 2 2 72.83 3.53 1.2986 1 -4 1 2 73.08 2.00 1.2948 1 3 1 2 73.16 3.47 1.2937 0 -2 3 2 74.35 1.42 1.2758 -1 3 2 2 74.62 1.68 1.2719 -1 -2 3 2 74.86 2.56 1.2683 0 1 3 2 75.00 3.08 1.2664 -3 4 0 2 75.10 2.79 1.2650 4 0 1 2 75.19 1.02 1.2637 4 1 0 2 75.32 1.84 1.2618 -3 0 3 2 75.40 2.16 1.2606 3 0 2 2 75.43 3.85 1.2602 -3 3 2 2 75.78 1.67 1.2553 2 3 0 2 75.99 1.08 1.2524 -3 -2 2 2 76.00 1.95 1.2522 1 -2 3 2 76.29 1.32 1.2481 0 -4 1 2 76.37 1.88 1.2470 4 -3 1 2 76.68 2.64 1.2428 0 4 0 2 78.02 1.90 1.2248 -5 2 1 2 78.48 1.42 1.2187 3 -3 2 2 78.72 1.09 1.2156 -5 1 0 2 79.13 1.10 1.2103 -1 4 1 2 79.99 2.37 1.1994 -2 -3 2 2 80.00 1.85 1.1994 -2 2 3 2 82.10 1.07 1.1739 1 -4 2 2 82.76 1.05 1.1662 3 2 1 2 83.00 2.28 1.1634 2 -2 3 2 83.89 3.51 1.1534 -1 -4 1 2 84.68 5.34 1.1446 2 2 2 2 85.35 2.65 1.1373 2 0 3 2 85.86 2.87 1.1319 4 -2 2 2 85.87 3.07 1.1317 4 1 1 2 86.61 2.53 1.1240 0 2 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.