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DOE OSTI · 1280382

Materials Data on Zr2CoH5 by Materials Project

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Abstract

Zr2CoH5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Zr2+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Zr–H bond distances ranging from 2.07–2.16 Å. Co1+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Co–H bond lengths are 1.63 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Zr2+ atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra. In the second H1- site, H1- is bonded to three equivalent Zr2+ and one Co1+ atom to form a mixture of edge and corner-sharing HZr3Co tetrahedra.

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36 MATERIALS SCIENCECo-H-Zrcrystal structureZr2CoH5

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2020-07-24. Materials Data on Zr2CoH5 by Materials Project. https://doi.org/10.17188/1280382

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