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DOE OSTI · 1753211

Materials Data on Ho12In3Fe2 by Materials Project

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Abstract

Ho12Fe2In3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to one Fe and three In atoms. The Ho–Fe bond length is 2.99 Å. There are a spread of Ho–In bond distances ranging from 3.15–3.77 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent In atoms. Both Ho–Fe bond lengths are 2.87 Å. Both Ho–In bond lengths are 3.50 Å. Fe is bonded in a 9-coordinate geometry to eight Ho and one Fe atom. The Fe–Fe bond length is 2.15 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve Ho atoms to form a mixture of distorted corner and face-sharing InHo12 cuboctahedra. In the second In site, In is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.

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36 MATERIALS SCIENCEcrystal structureFe-Ho-InHo12In3Fe2

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2020-05-02. Materials Data on Ho12In3Fe2 by Materials Project. https://doi.org/10.17188/1753211

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