Materials Data on BaNd by Materials Project

Abstract

NdBa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Ba and six equivalent Nd atoms to form BaBa6Nd6 cuboctahedra that share corners with eighteen equivalent BaBa6Nd6 cuboctahedra, edges with six equivalent BaBa6Nd6 cuboctahedra, edges with twelve equivalent NdBa6Nd6 cuboctahedra, faces with eight equivalent BaBa6Nd6 cuboctahedra, and faces with twelve equivalent NdBa6Nd6 cuboctahedra. All Ba–Ba bond lengths are 3.96 Å. All Ba–Nd bond lengths are 4.01 Å. Nd is bonded to six equivalent Ba and six equivalent Nd atoms to form NdBa6Nd6 cuboctahedra that share corners with eighteen equivalent NdBa6Nd6 cuboctahedra, edges with six equivalent NdBa6Nd6 cuboctahedra, edges with twelve equivalent BaBa6Nd6 cuboctahedra, faces with eight equivalent NdBa6Nd6 cuboctahedra, and faces with twelve equivalent BaBa6Nd6 cuboctahedra. All Nd–Nd bond lengths are 3.96 Å.