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DOE OSTI · 1193033

Materials Data on Sr6Ga5N by Materials Project

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Abstract

Sr6Ga5N crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr is bonded in a distorted single-bond geometry to five Ga and one N atom. There are a spread of Sr–Ga bond distances ranging from 3.30–3.50 Å. The Sr–N bond length is 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six equivalent Sr and four Ga atoms. There are two shorter (2.75 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Sr and three equivalent Ga atoms. N is bonded in an octahedral geometry to six equivalent Sr atoms.

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36 MATERIALS SCIENCEcrystal structureGa-N-SrSr6Ga5N

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2020-04-30. Materials Data on Sr6Ga5N by Materials Project. https://doi.org/10.17188/1193033

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