Materials Data on Fe2NiP by Materials Project

Abstract

Fe2NiP crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.28 Å) and one longer (2.37 Å) Fe–P bond lengths. In the second Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.23–2.38 Å. Ni is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of Ni–P bond distances ranging from 2.30–2.34 Å. P is bonded in a 9-coordinate geometry to five Fe and four equivalent Ni atoms.