Materials Data on Y2Ni17 by Materials Project

Y2Ni17 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.90–3.22 Å. In the second Y site, Y is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.83–3.11 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Y and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.69 Å. In the second Ni site, Ni is bonded to two equivalent Y and ten Ni atoms to form NiY2Ni10 cuboctahedra that share corners with fourteen NiY2Ni10 cuboctahedra, edges with six NiY3Ni9 cuboctahedra, and faces with ten NiY2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.40 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to two equivalent Y and ten Ni atoms to form NiY2Ni10 cuboctahedra that share corners with fourteen NiY2Ni10 cuboctahedra, edges with six NiY3Ni9 cuboctahedra, and faces with ten NiY2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.40 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two Y and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.51 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to two Y and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.51 Å. In the sixth Ni site, Ni is bonded in a 12-coordinate geometry to two Y and ten Ni atoms. There are two shorter (2.49 Å) and two longer (2.51 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded to three Y and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiY3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.39 Å. In the eighth Ni site, Ni is bonded to three Y and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiY3Ni9 cuboctahedra.