Materials Data on C by Materials Project

Abstract

C crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are sixteen inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.47 Å) C–C bond length. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.40–1.46 Å. In the third C site, C is bonded to four C atoms to form distorted corner-sharing CC4 tetrahedra. There are a spread of C–C bond distances ranging from 1.55–1.61 Å. In the fourth C site, C is bonded to four C atoms to form distorted corner-sharing CC4 tetrahedra. There are a spread of C–C bond distances ranging from 1.53–1.64 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.39 Å) and one longer (1.44 Å) C–C bond length. In the seventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.30–1.46 Å. In the ninth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the tenth C site, C is bonded in a linear geometry to two C atoms. The C–C bond length is 1.29 Å. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.41 Å) and one longer (1.45 Å) C–C bond length. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.39 Å. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.54 Å) and one longer (1.57 Å) C–C bond length. In the fourteenth C site, C is bonded to four C atoms to form distorted corner-sharing CC4 tetrahedra. The C–C bond length is 1.47 Å. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms.