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DOE OSTI · 1681857

Materials Data on GaFe3 by Materials Project

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Abstract

Fe3Ga is beta-prime cadmium gold-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to six Fe and two equivalent Ga atoms. There are two shorter (2.47 Å) and four longer (2.57 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.53 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.57 Å. Ga is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.57 Å.

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36 MATERIALS SCIENCEcrystal structureFe-GaGaFe3

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2020-05-02. Materials Data on GaFe3 by Materials Project. https://doi.org/10.17188/1681857

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