Materials Data on C by Materials Project

Abstract

C is gamma nitrogen structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four C clusters. there are twenty 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 1.37–1.44 Å. In the second C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.27 Å) and one longer (1.38 Å) C–C bond length. In the third C site, C is bonded in a linear geometry to two C atoms. The C–C bond length is 1.28 Å. In the fourth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.37 Å. In the fifth C site, C is bonded in a bent 120 degrees geometry to two C atoms. In the sixth C site, C is bonded in a bent 120 degrees geometry to two C atoms. There is one shorter (1.27 Å) and one longer (1.34 Å) C–C bond length. In the seventh C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.53 Å) C–C bond length. In the eighth C site, C is bonded in a bent 150 degrees geometry to two C atoms. The C–C bond length is 1.24 Å. In the ninth C site, C is bonded in a bent 150 degrees geometry to two C atoms. The C–C bond length is 1.39 Å. In the tenth C site, C is bonded in a distorted bent 150 degrees geometry to two C atoms. The C–C bond length is 1.44 Å. In the eleventh C site, C is bonded in a distorted trigonal non-coplanar geometry to three C atoms. The C–C bond length is 1.38 Å. In the twelfth C site, C is bonded in a 2-coordinate geometry to three C atoms. There is one shorter (1.35 Å) and one longer (1.57 Å) C–C bond length. In the thirteenth C site, C is bonded in a 3-coordinate geometry to three C atoms. There is one shorter (1.30 Å) and one longer (1.41 Å) C–C bond length. In the fourteenth C site, C is bonded in a 3-coordinate geometry to three C atoms. The C–C bond length is 1.43 Å. In the fifteenth C site, C is bonded in a bent 150 degrees geometry to two C atoms. The C–C bond length is 1.29 Å. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the seventeenth C site, C is bonded in a bent 120 degrees geometry to two C atoms. The C–C bond length is 1.32 Å. In the eighteenth C site, C is bonded in a linear geometry to two C atoms. The C–C bond length is 1.31 Å. In the nineteenth C site, C is bonded in a bent 150 degrees geometry to two C atoms. In the twentieth C site, C is bonded in a single-bond geometry to one C atom.