Materials Data on TmAlCu by Materials Project

Abstract

TmCuAl crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Al atoms. There are two shorter (3.11 Å) and four longer (3.15 Å) Tm–Cu bond lengths. There are two shorter (3.11 Å) and four longer (3.15 Å) Tm–Al bond lengths. Cu is bonded to six equivalent Tm, two equivalent Cu, and four equivalent Al atoms to form CuTm6Al4Cu2 cuboctahedra that share corners with eight equivalent AlTm6Al2Cu4 cuboctahedra, corners with ten equivalent CuTm6Al4Cu2 cuboctahedra, edges with six equivalent CuTm6Al4Cu2 cuboctahedra, faces with six equivalent CuTm6Al4Cu2 cuboctahedra, and faces with twelve equivalent AlTm6Al2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.69 Å. All Cu–Al bond lengths are 2.67 Å. Al is bonded to six equivalent Tm, four equivalent Cu, and two equivalent Al atoms to form AlTm6Al2Cu4 cuboctahedra that share corners with eight equivalent CuTm6Al4Cu2 cuboctahedra, corners with ten equivalent AlTm6Al2Cu4 cuboctahedra, edges with six equivalent AlTm6Al2Cu4 cuboctahedra, faces with six equivalent AlTm6Al2Cu4 cuboctahedra, and faces with twelve equivalent CuTm6Al4Cu2 cuboctahedra. Both Al–Al bond lengths are 2.69 Å.