C12H14N4 Marsh R E, Herbstein F H Acta Crystallographica B44 (1988) 77-88 More space group changes Sample: T = 153 K _database_code_amcsd 0009812 CELL PARAMETERS: 13.6350 26.3530 6.0890 89.870 90.000 90.000 SPACE GROUP: Fdd2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 2187.913 Density (g/cm3): 1.215 MAX. ABS. INTENSITY / VOLUME**2: 2.473356047 RIR: 0.663 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.44 7.80 6.5882 0 4 0 2 14.63 19.13 6.0550 2 2 0 4 16.29 34.29 5.4423 1 1 1 4 16.30 34.22 5.4378 1 -1 1 4 18.73 100.00 4.7376 2 4 0 4 18.87 96.16 4.7023 1 3 1 4 18.91 95.67 4.6935 1 -3 1 4 23.23 40.38 3.8290 1 5 1 4 23.28 40.12 3.8211 1 -5 1 4 24.10 9.38 3.6923 2 6 0 4 24.67 12.62 3.6086 3 1 1 4 24.68 12.60 3.6073 3 -1 1 4 26.14 4.81 3.4088 4 0 0 2 26.48 18.40 3.3661 3 3 1 4 26.51 18.34 3.3629 3 -3 1 4 27.07 2.75 3.2941 0 8 0 2 28.61 27.42 3.1203 1 7 1 4 28.66 27.25 3.1143 1 -7 1 4 29.50 2.54 3.0275 4 4 0 4 29.80 6.94 2.9983 3 5 1 4 29.84 6.91 2.9945 3 -5 1 4 30.11 3.45 2.9678 0 2 2 2 30.13 2.48 2.9660 2 8 0 4 30.14 3.43 2.9649 0 -2 2 2 32.20 9.56 2.7799 2 0 2 2 32.92 4.79 2.7212 2 2 2 4 32.94 4.78 2.7189 2 -2 2 4 33.27 1.63 2.6929 4 6 0 4 34.23 10.79 2.6195 3 7 1 4 34.28 10.73 2.6159 3 -7 1 4 34.59 3.61 2.5930 1 9 1 4 34.65 3.59 2.5886 1 -9 1 4 35.01 9.48 2.5631 2 4 2 4 35.06 9.43 2.5593 2 -4 2 4 35.85 1.05 2.5048 0 6 2 2 35.93 1.04 2.4995 0 -6 2 2 36.26 2.23 2.4776 5 1 1 4 36.56 4.08 2.4580 2 10 0 4 37.55 1.43 2.3951 5 3 1 4 37.57 1.42 2.3940 5 -3 1 4 37.99 3.62 2.3688 4 8 0 4 39.46 2.38 2.2836 3 9 1 4 39.51 2.37 2.2806 3 -9 1 4 40.05 1.01 2.2513 5 5 1 4 40.08 1.00 2.2497 5 -5 1 4 40.99 2.84 2.2018 1 11 1 4 41.05 2.83 2.1985 1 -11 1 4 42.06 1.49 2.1483 6 4 0 4 42.07 2.00 2.1479 4 4 2 4 42.11 1.99 2.1456 4 -4 2 4 42.51 2.00 2.1267 2 8 2 4 42.60 1.98 2.1223 2 -8 2 4 43.40 4.47 2.0849 4 10 0 4 43.57 2.51 2.0770 5 7 1 4 43.61 2.50 2.0753 5 -7 1 4 44.91 5.87 2.0185 4 6 2 4 44.91 1.88 2.0183 6 6 0 4 44.97 5.84 2.0157 4 -6 2 4 45.28 1.25 2.0028 3 11 1 4 45.34 1.25 2.0003 3 -11 1 4 45.47 2.15 1.9948 0 10 2 2 45.58 2.13 1.9903 0 -10 2 2 47.49 1.46 1.9145 2 10 2 4 47.60 1.45 1.9105 2 -10 2 4 48.66 2.13 1.8710 4 8 2 4 48.68 2.87 1.8706 6 8 0 4 48.75 2.12 1.8681 4 -8 2 4 49.24 1.98 1.8506 7 1 1 4 49.28 4.91 1.8490 3 1 3 4 49.30 4.91 1.8484 3 -1 3 4 49.36 1.55 1.8461 4 12 0 4 50.26 1.26 1.8155 7 3 1 4 50.27 1.26 1.8149 7 -3 1 4 50.29 2.21 1.8145 2 14 0 4 51.54 1.10 1.7731 1 7 3 4 51.65 1.09 1.7698 1 -7 3 4 53.20 1.74 1.7216 4 10 2 4 53.30 1.73 1.7188 4 -10 2 4 55.18 1.18 1.6646 7 7 1 4 55.21 1.18 1.6637 7 -7 1 4 56.65 1.42 1.6249 5 1 3 4 57.57 1.37 1.6010 2 16 0 4 58.05 1.12 1.5889 8 6 0 4 58.41 1.95 1.5799 4 12 2 4 58.52 1.93 1.5772 4 -12 2 4 58.91 1.04 1.5676 7 9 1 4 58.95 1.04 1.5667 7 -9 1 4 62.90 1.26 1.4776 8 2 2 4 65.40 1.14 1.4271 3 17 1 4 65.47 1.14 1.4257 3 -17 1 4 74.71 1.10 1.2706 5 13 3 4 74.87 1.09 1.2683 5 -13 3 4 76.56 2.05 1.2444 10 0 2 2 78.18 1.28 1.2226 10 4 2 4 79.70 1.81 1.2031 11 3 1 4 80.33 1.18 1.1953 5 15 3 4 80.50 1.17 1.1931 5 -15 3 4 83.66 1.19 1.1559 9 7 3 4 83.74 1.18 1.1550 9 -7 3 4 86.03 1.06 1.1301 4 22 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.