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DOE OSTI · 1193283

Materials Data on Sr6GaN5 by Materials Project

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Abstract

Sr6GaN5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Sr2+ is bonded to five N3- atoms to form a mixture of distorted face, edge, and corner-sharing SrN5 square pyramids. There are a spread of Sr–N bond distances ranging from 2.60–2.94 Å. Ga3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Ga–N bond lengths are 1.91 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Sr2+ atoms to form distorted edge-sharing NSr6 octahedra. In the second N3- site, N3- is bonded in a 1-coordinate geometry to six equivalent Sr2+ and one Ga3+ atom.

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36 MATERIALS SCIENCEcrystal structureGa-N-SrSr6GaN5

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2020-07-24. Materials Data on Sr6GaN5 by Materials Project. https://doi.org/10.17188/1193283

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