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DOE OSTI · 1354992

Materials Data on Na2H6Ir by Materials Project

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Abstract

Na2IrH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent H1- atoms to form NaH12 cuboctahedra that share corners with twelve equivalent NaH12 cuboctahedra, faces with six equivalent NaH12 cuboctahedra, and faces with four equivalent IrH6 octahedra. All Na–H bond lengths are 2.62 Å. Ir4+ is bonded to six equivalent H1- atoms to form IrH6 octahedra that share faces with eight equivalent NaH12 cuboctahedra. All Ir–H bond lengths are 1.69 Å. H1- is bonded to four equivalent Na1+ and one Ir4+ atom to form a mixture of face, edge, and corner-sharing HNa4Ir square pyramids.

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36 MATERIALS SCIENCEcrystal structureH-Ir-NaNa2H6Ir

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2020-07-22. Materials Data on Na2H6Ir by Materials Project. https://doi.org/10.17188/1354992

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