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DOE OSTI · 1696533

Materials Data on Zr4Rh2N by Materials Project

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Abstract

Zr4Rh2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Zr–Rh bond lengths are 2.76 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Rh and two equivalent N atoms. Both Zr–Rh bond lengths are 2.82 Å. Both Zr–N bond lengths are 2.32 Å. Rh is bonded in a 9-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 36°.

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36 MATERIALS SCIENCEcrystal structureN-Rh-ZrZr4Rh2N

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2020-05-04. Materials Data on Zr4Rh2N by Materials Project. https://doi.org/10.17188/1696533

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