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DOE OSTI · 1722407

Materials Data on Ba6Ge2N7 by Materials Project

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Abstract

Ba6Ge2N7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to six N+2.86- atoms to form a mixture of distorted edge, face, and corner-sharing BaN6 pentagonal pyramids. There are a spread of Ba–N bond distances ranging from 2.73–3.12 Å. Ge4+ is bonded in a trigonal planar geometry to three equivalent N+2.86- atoms. All Ge–N bond lengths are 1.84 Å. There are two inequivalent N+2.86- sites. In the first N+2.86- site, N+2.86- is bonded in a 6-coordinate geometry to five equivalent Ba2+ and one Ge4+ atom. In the second N+2.86- site, N+2.86- is bonded in an octahedral geometry to six equivalent Ba2+ atoms.

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36 MATERIALS SCIENCEBa-Ge-NBa6Ge2N7crystal structure

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2020-05-02. Materials Data on Ba6Ge2N7 by Materials Project. https://doi.org/10.17188/1722407

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