Materials Data on Eu2Ni17 by Materials Project

Abstract

Eu2Ni17 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Eu–Ni bond distances ranging from 2.95–3.24 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to twenty Ni atoms. There are a spread of Eu–Ni bond distances ranging from 2.90–3.16 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Eu and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.72 Å. In the second Ni site, Ni is bonded to two equivalent Eu and ten Ni atoms to form NiEu2Ni10 cuboctahedra that share corners with fourteen NiEu2Ni10 cuboctahedra, edges with six NiEu3Ni9 cuboctahedra, and faces with ten NiEu2Ni10 cuboctahedra. There are four shorter (2.40 Å) and four longer (2.41 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to two equivalent Eu and ten Ni atoms to form NiEu2Ni10 cuboctahedra that share corners with fourteen NiEu2Ni10 cuboctahedra, edges with six NiEu3Ni9 cuboctahedra, and faces with ten NiEu2Ni10 cuboctahedra. All Ni–Ni bond lengths are 2.40 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two Eu and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.60 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to two Eu and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.41–2.60 Å. In the sixth Ni site, Ni is bonded in a 12-coordinate geometry to two Eu and ten Ni atoms. There are two shorter (2.48 Å) and two longer (2.60 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded to three Eu and nine Ni atoms to form a mixture of edge, face, and corner-sharing NiEu3Ni9 cuboctahedra. There are one shorter (2.43 Å) and one longer (2.44 Å) Ni–Ni bond lengths. In the eighth Ni site, Ni is bonded to three Eu and nine Ni atoms to form a mixture of edge, face, and corner-sharing NiEu3Ni9 cuboctahedra.