C38H18 Marsh R E, Herbstein F H Acta Crystallographica B44 (1988) 77-88 More space group changes _database_code_amcsd 0009815 CELL PARAMETERS: 31.2760 3.7818 21.6630 90.000 124.220 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 2118.718 Density (g/cm3): 1.487 MAX. ABS. INTENSITY / VOLUME**2: 3.123882783 RIR: 0.684 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 5.76 54.69 15.3549 -2 0 1 2 6.84 3.95 12.9308 2 0 0 2 8.26 5.54 10.6995 -2 0 2 2 9.88 98.10 8.9564 0 0 2 2 10.45 100.00 8.4658 2 0 1 2 11.53 27.51 7.6775 -4 0 2 2 11.65 2.82 7.5968 -4 0 1 2 12.35 11.49 7.1681 -2 0 3 2 13.38 5.51 6.6174 -4 0 3 2 14.84 7.80 5.9709 0 0 3 2 17.00 3.55 5.2163 4 0 1 2 17.09 2.81 5.1878 -6 0 2 2 17.33 5.39 5.1183 -6 0 3 2 18.26 6.85 4.8579 -6 0 1 2 19.57 8.68 4.5362 2 0 3 2 19.83 1.50 4.4782 0 0 4 2 20.61 3.16 4.3103 6 0 0 2 20.99 2.02 4.2329 4 0 2 2 21.57 3.23 4.1204 -6 0 5 2 21.70 3.87 4.0956 -2 0 5 2 23.78 14.22 3.7420 1 1 0 4 23.89 15.26 3.7241 -1 1 1 4 24.24 71.15 3.6721 -2 1 1 4 24.70 14.27 3.6047 1 1 1 4 24.85 4.54 3.5826 0 0 5 2 24.97 2.73 3.5656 -2 1 2 4 25.03 1.12 3.5573 -1 1 2 4 25.06 2.47 3.5531 -3 1 1 4 25.09 2.02 3.5492 -8 0 1 2 25.39 18.44 3.5077 -3 1 2 4 25.72 27.76 3.4632 3 1 0 4 25.80 38.96 3.4529 2 1 1 4 26.27 11.48 3.3925 -4 1 2 4 26.55 11.77 3.3570 1 1 2 4 26.65 1.09 3.3448 -2 1 3 4 26.68 10.54 3.3412 -3 1 3 4 26.95 1.11 3.3087 -8 0 6 2 27.07 1.22 3.2937 -1 1 3 4 27.16 1.14 3.2834 -4 1 3 4 27.31 15.77 3.2655 3 1 1 4 27.32 15.09 3.2644 4 1 0 4 27.56 2.51 3.2362 -5 1 2 4 27.94 7.93 3.1931 2 1 2 4 28.07 8.67 3.1793 -5 1 3 4 28.81 1.06 3.0993 -3 1 4 4 29.17 2.08 3.0618 4 1 1 4 29.25 5.73 3.0528 5 1 0 4 29.68 4.24 3.0095 3 1 2 4 30.36 2.41 2.9445 -6 1 4 4 31.73 1.00 2.8202 4 1 2 4 35.07 1.68 2.5590 0 0 7 2 38.37 1.28 2.3461 -12 0 8 2 41.36 1.49 2.1828 -11 1 2 4 42.66 1.29 2.1194 0 1 7 4 42.99 1.27 2.1041 -12 1 3 4 43.95 5.90 2.0602 -12 0 10 2 44.14 4.63 2.0518 -14 0 2 2 44.79 5.60 2.0233 2 0 8 2 45.67 1.96 1.9867 -10 1 9 4 46.22 2.03 1.9642 -12 1 1 4 50.18 1.02 1.8181 -4 2 3 4 54.37 1.27 1.6874 6 2 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.