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DOE OSTI · 1681790

Materials Data on Fe5Si3 by Materials Project

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Abstract

Fe5Si3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. there are two inequivalent Fe+2.40+ sites. In the first Fe+2.40+ site, Fe+2.40+ is bonded in a distorted linear geometry to six equivalent Si4- atoms. There are two shorter (2.22 Å) and four longer (2.72 Å) Fe–Si bond lengths. In the second Fe+2.40+ site, Fe+2.40+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing FeSi6 cuboctahedra. All Fe–Si bond lengths are 2.49 Å. Si4- is bonded in a 2-coordinate geometry to ten Fe+2.40+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.72 Å.

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36 MATERIALS SCIENCEcrystal structureFe-SiFe5Si3

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2020-05-02. Materials Data on Fe5Si3 by Materials Project. https://doi.org/10.17188/1681790

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