CaC2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded to eight equivalent C(1) atoms to form distorted CaC8 hexagonal bipyramids that share corners with eight equivalent C(1)Ca4C square pyramids and edges with twelve equivalent Ca(1)C8 hexagonal bipyramids. C(1) is bonded to four equivalent Ca(1) and one C(1) atom to form distorted CCa4C square pyramids that share corners with four equivalent Ca(1)C8 hexagonal bipyramids, corners with sixteen equivalent C(1)Ca4C square pyramids, and edges with six equivalent C(1)Ca4C square pyramids.
CaC2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded to eight equivalent C(1) atoms to form distorted CaC8 hexagonal bipyramids that share corners with eight equivalent C(1)Ca4C square pyramids and edges with twelve equivalent Ca(1)C8 hexagonal bipyramids. There are a spread of Ca(1)-C(1) bond distances ranging from 2.57-2.80 Å. C(1) is bonded to four equivalent Ca(1) and one C(1) atom to form distorted CCa4C square pyramids that share corners with four equivalent Ca(1)C8 hexagonal bipyramids, corners with sixteen equivalent C(1)Ca4C square pyramids, and edges with six equivalent C(1)Ca4C square pyramids. The C(1)-C(1) bond length is 1.25 Å.