Materials Data on Ce3Cr by Materials Project
Ce3Cr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Cr atoms to form distorted CeCe8Cr4 cuboctahedra that share corners with twelve equivalent CeCe8Cr4 cuboctahedra, edges with eight equivalent CeCe8Cr4 cuboctahedra, edges with eight equivalent CrCe12 cuboctahedra, faces with four equivalent CrCe12 cuboctahedra, and faces with ten equivalent CeCe8Cr4 cuboctahedra. There are four shorter (2.96 Å) and four longer (3.26 Å) Ce–Ce bond lengths. All Ce–Cr bond lengths are 3.26 Å. In the second Ce site, Ce is bonded in a square co-planar geometry to eight equivalent Ce and four equivalent Cr atoms. All Ce–Cr bond lengths are 2.96 Å. Cr is bonded to twelve Ce atoms to form CrCe12 cuboctahedra that share corners with four equivalent CrCe12 cuboctahedra, edges with eight equivalent CrCe12 cuboctahedra, edges with sixteen equivalent CeCe8Cr4 cuboctahedra, faces with four equivalent CrCe12 cuboctahedra, and faces with eight equivalent CeCe8Cr4 cuboctahedra.