Materials Data on Ni2SnP by Materials Project

Abstract

Ni2SnP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Ni, three equivalent Sn, and three equivalent P atoms. There are one shorter (2.51 Å) and one longer (2.65 Å) Ni–Ni bond lengths. There are one shorter (2.59 Å) and two longer (2.61 Å) Ni–Sn bond lengths. There are two shorter (2.28 Å) and one longer (2.29 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to two equivalent Ni, two equivalent Sn, and three equivalent P atoms. Both Ni–Sn bond lengths are 2.70 Å. There are one shorter (2.21 Å) and two longer (2.31 Å) Ni–P bond lengths. Sn is bonded in a 5-coordinate geometry to five Ni atoms. P is bonded in a 6-coordinate geometry to six Ni atoms.