DOE OSTI2020
LuNi5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to fifteen Ni and four equivalent Sn atoms. There are a spread of Lu–Ni bond distances ranging from 2.76–3.29 Å. There are a spread of Lu–Sn bond distances ranging from 3.18–3.29 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent Lu, five Ni, and one Sn atom. There are three shorter (2.44 Å) and two longer (2.47 Å) Ni–Ni bond lengths. The Ni–Sn bond length is 2.71 Å. In the second Ni site, Ni is bonded to three equivalent Lu, seven Ni, and two equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing NiLu3Ni7Sn2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.40–2.58 Å. Both Ni–Sn bond lengths are 2.73 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Lu, four Ni, and three equivalent Sn atoms. Both Ni–Ni bond lengths are 2.48 Å. There are one shorter (2.53 Å) and two longer (2.87 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded to three equivalent Lu, seven Ni, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing NiLu3Ni7Sn2 cuboctahedra. There are one shorter (2.40 Å) and one longer (2.42 Å) Ni–Ni bond lengths. There are one shorter (2.67 Å) and one longer (2.69 Å) Ni–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Lu and ten Ni atoms.