Materials Data on TbNd3 by Materials Project

Abstract

TbNd3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Nd atoms to form TbNd12 cuboctahedra that share corners with six equivalent TbNd12 cuboctahedra, corners with twelve equivalent NdTb4Nd8 cuboctahedra, edges with eighteen equivalent NdTb4Nd8 cuboctahedra, faces with eight equivalent TbNd12 cuboctahedra, and faces with twelve equivalent NdTb4Nd8 cuboctahedra. There are six shorter (3.66 Å) and six longer (3.67 Å) Tb–Nd bond lengths. Nd is bonded to four equivalent Tb and eight equivalent Nd atoms to form NdTb4Nd8 cuboctahedra that share corners with four equivalent TbNd12 cuboctahedra, corners with fourteen equivalent NdTb4Nd8 cuboctahedra, edges with six equivalent TbNd12 cuboctahedra, edges with twelve equivalent NdTb4Nd8 cuboctahedra, faces with four equivalent TbNd12 cuboctahedra, and faces with sixteen equivalent NdTb4Nd8 cuboctahedra. There are two shorter (3.65 Å) and six longer (3.68 Å) Nd–Nd bond lengths.