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DOE OSTI · 1285095

Materials Data on Ba2H6Os by Materials Project

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Abstract

Ba2OsH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent H+0.33- atoms to form BaH12 cuboctahedra that share corners with twelve equivalent BaH12 cuboctahedra, faces with six equivalent BaH12 cuboctahedra, and faces with four equivalent OsH6 octahedra. All Ba–H bond lengths are 2.89 Å. Os2- is bonded to six equivalent H+0.33- atoms to form OsH6 octahedra that share faces with eight equivalent BaH12 cuboctahedra. All Os–H bond lengths are 1.74 Å. H+0.33- is bonded to four equivalent Ba2+ and one Os2- atom to form a mixture of edge, corner, and face-sharing HBa4Os square pyramids.

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36 MATERIALS SCIENCEBa-H-OsBa2H6Oscrystal structure

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2020-05-03. Materials Data on Ba2H6Os by Materials Project. https://doi.org/10.17188/1285095

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