Materials Data on Fe3Co3B2 by Materials Project

Abstract

Fe3Co3B2 is Cementite-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.06–2.28 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three equivalent B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.55 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to three equivalent B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.55 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Co–B bond distances ranging from 2.04–2.30 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Co–B bond distances ranging from 2.04–2.29 Å. In the third Co site, Co is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Co–B bond distances ranging from 2.04–2.29 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to five Fe and four Co atoms. In the second B site, B is bonded in a 9-coordinate geometry to four Fe and five Co atoms.