Materials Data on CaC2 by Materials Project

Abstract

CaC2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent C1- atoms to form CaC8 hexagonal bipyramids that share corners with eight equivalent CCa4C trigonal bipyramids and edges with twelve equivalent CaC8 hexagonal bipyramids. There are two shorter (2.59 Å) and six longer (2.84 Å) Ca–C bond lengths. C1- is bonded to four equivalent Ca2+ and one C1- atom to form distorted CCa4C trigonal bipyramids that share corners with four equivalent CaC8 hexagonal bipyramids, corners with sixteen equivalent CCa4C trigonal bipyramids, and edges with six equivalent CCa4C trigonal bipyramids. The C–C bond length is 1.27 Å.