Materials Data on Eu2(CuNi)5 by Materials Project

Abstract

Eu2(NiCu)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 6-coordinate geometry to eight equivalent Ni and ten Cu atoms. All Eu–Ni bond lengths are 3.24 Å. There are a spread of Eu–Cu bond distances ranging from 2.93–3.23 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to twelve Ni and six Cu atoms. All Eu–Ni bond lengths are 3.23 Å. There are two shorter (2.92 Å) and four longer (2.93 Å) Eu–Cu bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Eu, four equivalent Ni, and four equivalent Cu atoms to form NiEu4Cu4Ni4 cuboctahedra that share corners with four equivalent CuEu4Cu4Ni4 cuboctahedra, corners with twelve NiEu4Cu5Ni3 cuboctahedra, edges with ten NiEu4Cu5Ni3 cuboctahedra, and faces with ten NiEu4Cu4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. All Ni–Cu bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to four Eu, three Ni, and five Cu atoms to form NiEu4Cu5Ni3 cuboctahedra that share corners with two equivalent CuEu4Cu4Ni4 cuboctahedra, corners with fourteen NiEu4Cu4Ni4 cuboctahedra, edges with two equivalent CuEu4Cu4Ni4 cuboctahedra, edges with eight NiEu4Cu4Ni4 cuboctahedra, faces with two equivalent CuEu4Cu4Ni4 cuboctahedra, and faces with eight NiEu4Cu4Ni4 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.54 Å) Ni–Ni bond lengths. There are four shorter (2.48 Å) and one longer (2.54 Å) Ni–Cu bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three Eu and six Ni atoms. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three Eu, four equivalent Ni, and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.49 Å. In the third Cu site, Cu is bonded to four equivalent Eu, four equivalent Ni, and four equivalent Cu atoms to form CuEu4Cu4Ni4 cuboctahedra that share corners with four equivalent CuEu4Cu4Ni4 cuboctahedra, corners with twelve NiEu4Cu5Ni3 cuboctahedra, edges with two equivalent CuEu4Cu4Ni4 cuboctahedra, edges with eight equivalent NiEu4Cu5Ni3 cuboctahedra, faces with two equivalent CuEu4Cu4Ni4 cuboctahedra, and faces with eight equivalent NiEu4Cu5Ni3 cuboctahedra.