Materials Data on C by Materials Project

Abstract

C crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two C ribbons oriented in the (1, 0, 0) direction. there are sixteen inequivalent C sites. In the first 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 1.40–1.45 Å. In the second C site, C is bonded to four C atoms to form edge-sharing CC4 tetrahedra. There is two shorter (1.53 Å) and two longer (1.61 Å) C–C bond length. In the third C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.45 Å) C–C bond length. In the fourth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.45 Å) C–C bond length. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.45 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.45 Å. In the seventh 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 1.40–1.45 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.44 Å) C–C bond length. In the ninth 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 tenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.44 Å. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.48 Å. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.45 Å. In the thirteenth 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 fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. 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. The C–C bond length is 1.40 Å.