Materials Data on Li3Co by Materials Project
Li3Co is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Co atoms to form a mixture of distorted edge and corner-sharing LiCo4 cuboctahedra. All Li–Co bond lengths are 2.72 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Co atoms. All Li–Co bond lengths are 2.70 Å. Co is bonded to twelve Li atoms to form a mixture of face, edge, and corner-sharing CoLi12 cuboctahedra.