Materials Data on Tb3Nd by Materials Project

Abstract

Tb3Nd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with twelve equivalent TbTb8Nd4 cuboctahedra, edges with eight equivalent NdTb12 cuboctahedra, edges with sixteen TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with fourteen TbTb8Nd4 cuboctahedra. All Tb–Tb bond lengths are 3.59 Å. All Tb–Nd bond lengths are 3.59 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Nd atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent TbTb8Nd4 cuboctahedra, corners with eight equivalent NdTb12 cuboctahedra, edges with twenty-four TbTb8Nd4 cuboctahedra, faces with six equivalent NdTb12 cuboctahedra, and faces with twelve TbTb8Nd4 cuboctahedra. All Tb–Nd bond lengths are 3.59 Å. Nd is bonded to twelve Tb atoms to form NdTb12 cuboctahedra that share corners with four equivalent NdTb12 cuboctahedra, corners with eight equivalent TbTb8Nd4 cuboctahedra, edges with eight equivalent NdTb12 cuboctahedra, edges with sixteen equivalent TbTb8Nd4 cuboctahedra, faces with four equivalent NdTb12 cuboctahedra, and faces with fourteen TbTb8Nd4 cuboctahedra.