Materials Data on CeY3 by Materials Project

Abstract

CeY3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Y atoms to form CeY12 cuboctahedra that share corners with four equivalent CeY12 cuboctahedra, corners with eight equivalent YCe4Y8 cuboctahedra, edges with eight equivalent CeY12 cuboctahedra, edges with sixteen equivalent YCe4Y8 cuboctahedra, faces with four equivalent CeY12 cuboctahedra, and faces with fourteen YCe4Y8 cuboctahedra. There are eight shorter (3.54 Å) and four longer (3.55 Å) Ce–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Ce and eight Y atoms to form YCe4Y8 cuboctahedra that share corners with twelve equivalent YCe4Y8 cuboctahedra, edges with eight equivalent CeY12 cuboctahedra, edges with sixteen YCe4Y8 cuboctahedra, faces with four equivalent CeY12 cuboctahedra, and faces with fourteen YCe4Y8 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.55 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Ce and eight equivalent Y atoms to form YCe4Y8 cuboctahedra that share corners with four equivalent YCe4Y8 cuboctahedra, corners with eight equivalent CeY12 cuboctahedra, edges with twenty-four YCe4Y8 cuboctahedra, faces with six equivalent CeY12 cuboctahedra, and faces with twelve YCe4Y8 cuboctahedra.