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DOE OSTI · 1281719

Materials Data on Yb6Fe23 by Materials Project

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Abstract

Yb6Fe23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Yb–Fe bond distances ranging from 2.86–3.02 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.48 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Yb and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.61 Å. In the third Fe site, Fe is bonded to four equivalent Yb and eight Fe atoms to form a mixture of corner and face-sharing FeYb4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å. In the fourth Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Yb and ten Fe atoms. All Fe–Fe bond lengths are 2.87 Å.

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36 MATERIALS SCIENCEcrystal structureFe-YbYb6Fe23

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2020-07-23. Materials Data on Yb6Fe23 by Materials Project. https://doi.org/10.17188/1281719

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