Materials Data on TbCe3 by Materials Project

Abstract

TbCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Ce atoms to form TbCe12 cuboctahedra that share corners with four equivalent TbCe12 cuboctahedra, corners with eight equivalent CeTb4Ce8 cuboctahedra, edges with eight equivalent TbCe12 cuboctahedra, edges with sixteen equivalent CeTb4Ce8 cuboctahedra, faces with four equivalent TbCe12 cuboctahedra, and faces with fourteen CeTb4Ce8 cuboctahedra. There are four shorter (3.39 Å) and eight longer (3.42 Å) Tb–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Tb and eight Ce atoms to form CeTb4Ce8 cuboctahedra that share corners with twelve equivalent CeTb4Ce8 cuboctahedra, edges with eight equivalent TbCe12 cuboctahedra, edges with sixteen CeTb4Ce8 cuboctahedra, faces with four equivalent TbCe12 cuboctahedra, and faces with fourteen CeTb4Ce8 cuboctahedra. There are four shorter (3.39 Å) and four longer (3.42 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Tb and eight equivalent Ce atoms to form CeTb4Ce8 cuboctahedra that share corners with four equivalent CeTb4Ce8 cuboctahedra, corners with eight equivalent TbCe12 cuboctahedra, edges with twenty-four CeTb4Ce8 cuboctahedra, faces with six equivalent TbCe12 cuboctahedra, and faces with twelve CeTb4Ce8 cuboctahedra.