Materials Data on Er2Al3Ga by Materials Project

Abstract

Er2GaAl3 is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, three equivalent Ga, and nine equivalent Al atoms. There are one shorter (3.36 Å) and three longer (3.38 Å) Er–Er bond lengths. All Er–Ga bond lengths are 3.23 Å. There are six shorter (3.22 Å) and three longer (3.25 Å) Er–Al bond lengths. Ga is bonded to six equivalent Er and six equivalent Al atoms to form GaEr6Al6 cuboctahedra that share corners with six equivalent GaEr6Al6 cuboctahedra, corners with twelve equivalent AlEr6Al4Ga2 cuboctahedra, edges with six equivalent GaEr6Al6 cuboctahedra, and faces with eighteen equivalent AlEr6Al4Ga2 cuboctahedra. All Ga–Al bond lengths are 2.76 Å. Al is bonded to six equivalent Er, two equivalent Ga, and four equivalent Al atoms to form AlEr6Al4Ga2 cuboctahedra that share corners with four equivalent GaEr6Al6 cuboctahedra, corners with fourteen equivalent AlEr6Al4Ga2 cuboctahedra, edges with six equivalent AlEr6Al4Ga2 cuboctahedra, faces with six equivalent GaEr6Al6 cuboctahedra, and faces with twelve equivalent AlEr6Al4Ga2 cuboctahedra. All Al–Al bond lengths are 2.75 Å.