Carpathite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060660 Fawcett J K, Trotter J Proceedings of the Royal Society of London A289 (1966) 366-376 The crystal and molecular structure of coronene Locality: synthetic CELL PARAMETERS: 16.0500 4.6790 10.0400 90.000 110.930 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) C -0.12010 -0.40790 0.03810 1.000 5.493 C -0.11220 -0.47880 0.17820 1.000 6.688 C -0.04970 -0.36000 0.29130 1.000 6.636 C 0.01210 -0.16070 0.27860 1.000 5.636 C 0.07990 -0.03390 0.39410 1.000 6.435 C 0.13640 0.15550 0.37610 1.000 6.603 C 0.13390 0.24440 0.24100 1.000 5.541 C 0.19090 0.44900 0.21670 1.000 6.514 C 0.18430 0.52860 0.08470 1.000 6.734 C -0.06060 -0.20290 0.01830 1.000 4.786 C 0.00570 -0.08230 0.13800 1.000 4.749 C 0.06660 0.12100 0.12060 1.000 4.686 H -0.15740 -0.63380 0.19460 1.000 5.300 H -0.04440 -0.42140 0.39400 1.000 5.300 H 0.08270 -0.09550 0.49550 1.000 4.900 H 0.18760 0.24620 0.46470 1.000 5.000 H 0.24060 0.54400 0.30840 1.000 4.700 H 0.22830 0.68480 0.06960 1.000 5.800 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 13 +/- 4 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 4.244196388 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.43 100.00 9.3775 0 0 1 11.81 75.64 7.4955 2 0 0 12.20 45.05 7.2536 -2 0 1 17.59 8.34 5.0421 2 0 1 18.39 6.44 4.8249 -2 0 2 18.93 6.20 4.6888 0 0 2 19.88 2.68 4.4665 1 1 0 22.18 4.14 4.0084 -4 0 1 22.40 40.08 3.9691 2 1 0 22.61 23.84 3.9319 -2 1 1 22.95 4.24 3.8755 1 1 1 23.74 4.07 3.7477 4 0 0 24.55 2.37 3.6268 -4 0 2 25.48 78.79 3.4954 -3 1 1 25.98 1.92 3.4297 2 1 1 26.09 23.89 3.4154 3 1 0 26.54 1.89 3.3589 -2 1 2 26.69 2.53 3.3398 -2 0 3 28.63 1.38 3.1174 4 0 1 29.04 2.38 3.0747 1 1 2 29.34 24.94 3.0441 -4 1 1 30.56 1.78 2.9251 4 1 0 33.88 3.08 2.6455 -5 1 1 39.31 1.12 2.2919 -6 1 2 39.95 1.47 2.2570 2 1 3 41.56 1.78 2.1732 -1 1 4 43.16 1.18 2.0960 0 1 4 43.77 1.66 2.0681 3 1 3 44.19 2.37 2.0496 -7 1 2 45.71 2.66 1.9848 -4 0 5 46.92 2.02 1.9365 6 0 2 48.14 3.04 1.8901 -5 2 1 48.93 1.14 1.8614 -5 2 2 52.04 1.89 1.7574 -6 2 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.