Materials Data on Er2Al3Co by Materials Project

Abstract

Er2CoAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, three equivalent Co, and nine equivalent Al atoms. All Er–Er bond lengths are 3.31 Å. All Er–Co bond lengths are 3.21 Å. There are three shorter (3.08 Å) and six longer (3.21 Å) Er–Al bond lengths. Co is bonded to six equivalent Er and six equivalent Al atoms to form CoEr6Al6 cuboctahedra that share corners with twelve equivalent AlEr6Al4Co2 cuboctahedra, edges with six equivalent CoEr6Al6 cuboctahedra, faces with two equivalent CoEr6Al6 cuboctahedra, and faces with eighteen equivalent AlEr6Al4Co2 cuboctahedra. All Co–Al bond lengths are 2.63 Å. Al is bonded to six equivalent Er, two equivalent Co, and four equivalent Al atoms to form distorted AlEr6Al4Co2 cuboctahedra that share corners with four equivalent CoEr6Al6 cuboctahedra, corners with fourteen equivalent AlEr6Al4Co2 cuboctahedra, edges with six equivalent AlEr6Al4Co2 cuboctahedra, faces with six equivalent CoEr6Al6 cuboctahedra, and faces with twelve equivalent AlEr6Al4Co2 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.83 Å) Al–Al bond lengths.