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DOE OSTI · 1280227

Materials Data on Li4H6Os by Materials Project

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Abstract

Li4OsH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H+0.33- atoms. All Li–H bond lengths are 2.09 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H+0.33- atoms. There are a spread of Li–H bond distances ranging from 2.13–2.23 Å. Os2- is bonded in an octahedral geometry to six equivalent H+0.33- atoms. All Os–H bond lengths are 1.73 Å. H+0.33- is bonded to four Li1+ and one Os2- atom to form a mixture of face and corner-sharing HLi4Os square pyramids.

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36 MATERIALS SCIENCEcrystal structureH-Li-OsLi4H6Os

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2020-07-15. Materials Data on Li4H6Os by Materials Project. https://doi.org/10.17188/1280227

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