Materials Data on Fe2W by Materials Project

Abstract

Fe2W is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded in a 12-coordinate geometry to four equivalent W and twelve Fe atoms. There are one shorter (2.83 Å) and three longer (2.91 Å) W–W bond lengths. There are a spread of W–Fe bond distances ranging from 2.73–2.81 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeFe6W6 cuboctahedra. All Fe–Fe bond lengths are 2.39 Å. In the second Fe site, Fe is bonded to six equivalent W and six Fe atoms to form a mixture of face, edge, and corner-sharing FeFe6W6 cuboctahedra. There are two shorter (2.29 Å) and two longer (2.39 Å) Fe–Fe bond lengths.