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DOE OSTI · 1280372

Materials Data on Na2Hf(HO)6 by Materials Project

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Abstract

Na2Hf(HO)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Na2Hf(HO)6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share edges with three equivalent NaO6 octahedra and edges with three equivalent HfO6 octahedra. There are three shorter (2.46 Å) and three longer (2.47 Å) Na–O bond lengths. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share edges with six equivalent NaO6 octahedra. All Hf–O bond lengths are 2.09 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, one Hf4+, and one H1+ atom.

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36 MATERIALS SCIENCEcrystal structureH-Hf-Na-ONa2Hf(HO)6

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2020-07-22. Materials Data on Na2Hf(HO)6 by Materials Project. https://doi.org/10.17188/1280372

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