Materials Data on TbAlCu by Materials Project

Abstract

TbCuAl crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Al atoms. There are two shorter (3.12 Å) and four longer (3.19 Å) Tb–Cu bond lengths. There are two shorter (3.13 Å) and four longer (3.19 Å) Tb–Al bond lengths. Cu is bonded to six equivalent Tb, two equivalent Cu, and four equivalent Al atoms to form CuTb6Al4Cu2 cuboctahedra that share corners with eight equivalent AlTb6Al2Cu4 cuboctahedra, corners with ten equivalent CuTb6Al4Cu2 cuboctahedra, edges with six equivalent CuTb6Al4Cu2 cuboctahedra, faces with six equivalent CuTb6Al4Cu2 cuboctahedra, and faces with twelve equivalent AlTb6Al2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.73 Å. All Cu–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Tb, four equivalent Cu, and two equivalent Al atoms to form AlTb6Al2Cu4 cuboctahedra that share corners with eight equivalent CuTb6Al4Cu2 cuboctahedra, corners with ten equivalent AlTb6Al2Cu4 cuboctahedra, edges with six equivalent AlTb6Al2Cu4 cuboctahedra, faces with six equivalent AlTb6Al2Cu4 cuboctahedra, and faces with twelve equivalent CuTb6Al4Cu2 cuboctahedra. Both Al–Al bond lengths are 2.72 Å.