Carbon Bucknum M J, Castro E A Journal of Chemical Theory and Computation 2 (2006) 775-781 The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes Locality: hypothetical structure _database_code_amcsd 0013020 CELL PARAMETERS: 4.8900 4.8900 3.8800 90.000 90.000 120.000 SPACE GROUP: P6/mmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 80.349 Density (g/cm3): 2.482 MAX. ABS. INTENSITY / VOLUME**2: 19.71999210 RIR: 2.587 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.98 100.00 4.2349 1 0 0 6 22.92 4.13 3.8800 0 0 1 2 36.76 3.92 2.4450 1 1 0 6 42.70 8.76 2.1174 2 0 0 6 43.76 7.15 2.0685 1 1 1 12 46.83 3.48 1.9400 0 0 2 2 49.01 10.15 1.8587 2 0 1 12 51.84 2.42 1.7637 1 0 2 12 57.58 5.20 1.6006 2 1 0 12 71.06 1.04 1.3266 3 0 1 12 77.28 1.06 1.2346 2 1 2 24 78.19 1.76 1.2225 2 2 0 6 84.80 2.81 1.1432 1 1 3 12 88.61 4.70 1.1037 2 0 3 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.