Materials Data on Ce2Al3Ru by Materials Project

Abstract

Ce2RuAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to three equivalent Ru and nine equivalent Al atoms. All Ce–Ru bond lengths are 3.26 Å. There are three shorter (3.19 Å) and six longer (3.24 Å) Ce–Al bond lengths. Ru is bonded to six equivalent Ce and six equivalent Al atoms to form RuCe6Al6 cuboctahedra that share corners with twelve equivalent AlCe6Al4Ru2 cuboctahedra, edges with six equivalent RuCe6Al6 cuboctahedra, faces with two equivalent RuCe6Al6 cuboctahedra, and faces with eighteen equivalent AlCe6Al4Ru2 cuboctahedra. All Ru–Al bond lengths are 2.70 Å. Al is bonded to six equivalent Ce, two equivalent Ru, and four equivalent Al atoms to form distorted AlCe6Al4Ru2 cuboctahedra that share corners with four equivalent RuCe6Al6 cuboctahedra, corners with fourteen equivalent AlCe6Al4Ru2 cuboctahedra, edges with six equivalent AlCe6Al4Ru2 cuboctahedra, faces with six equivalent RuCe6Al6 cuboctahedra, and faces with twelve equivalent AlCe6Al4Ru2 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.85 Å) Al–Al bond lengths.