Materials Data on Nd6Ni2Sn by Materials Project

Abstract

Nd6Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to two Ni and two Sn atoms. There are one shorter (2.95 Å) and one longer (3.42 Å) Nd–Ni bond lengths. There are one shorter (3.20 Å) and one longer (3.48 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 5-coordinate geometry to three Ni and two Sn atoms. There are two shorter (3.03 Å) and one longer (3.33 Å) Nd–Ni bond lengths. There are one shorter (3.35 Å) and one longer (3.82 Å) Nd–Sn bond lengths. In the third Nd site, Nd is bonded in a 4-coordinate geometry to three Ni and one Sn atom. There are one shorter (2.83 Å) and two longer (2.97 Å) Nd–Ni bond lengths. The Nd–Sn bond length is 3.50 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Nd and one Ni atom. The Ni–Ni bond length is 2.76 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Nd and one Ni atom. The Ni–Ni bond length is 2.44 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Nd atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Nd atoms.