DOI: 10.17188/1727794
title: Materials Data on Fe7Ni5P4 by Materials Project

description: Fe7Ni5P4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are seven inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.82 Å. There are one shorter (2.32 Å) and one longer (2.34 Å) Fe–P bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.50–2.82 Å. There are one shorter (2.29 Å) and one longer (2.37 Å) Fe–P bond lengths. In the third Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.49–2.83 Å. There are one shorter (2.29 Å) and one longer (2.37 Å) Fe–P bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to five Ni and two P atoms. There are a spread of Fe–Ni bond distances ranging from 2.51–2.79 Å. There are one shorter (2.29 Å) and one longer (2.37 Å) Fe–P bond lengths. In the fifth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.54–2.62 Å. There are one shorter (2.27 Å) and three longer (2.30 Å) Fe–P bond lengths. In the sixth Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Fe–Ni bond distances ranging from 2.54–2.60 Å. There are a spread of Fe–P bond distances ranging from 2.28–2.31 Å. In the seventh Fe site, Fe is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are two shorter (2.54 Å) and one longer (2.64 Å) Fe–Ni bond lengths. There are a spread of Fe–P bond distances ranging from 2.27–2.33 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to seven Fe, three Ni, and three P atoms. There are a spread of Ni–Ni bond distances ranging from 2.62–2.70 Å. There are a spread of Ni–P bond distances ranging from 2.20–2.38 Å. In the second Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.55 Å. There are a spread of Ni–P bond distances ranging from 2.24–2.36 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to eight Fe, two equivalent Ni, and three P atoms. There are one shorter (2.66 Å) and one longer (2.69 Å) Ni–Ni bond lengths. There are a spread of Ni–P bond distances ranging from 2.23–2.39 Å. In the fourth Ni site, Ni is bonded in a 3-coordinate geometry to seven Fe, three Ni, and three P atoms. The Ni–Ni bond length is 2.52 Å. There are a spread of Ni–P bond distances ranging from 2.21–2.37 Å. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to three Ni and four P atoms. There are a spread of Ni–P bond distances ranging from 2.29–2.33 Å. There are four inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Fe and five Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to six Fe and three Ni atoms. In the third P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to five Fe and four Ni atoms.