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DOE OSTI · 1316759

Materials Data on Sr3N2 by Materials Project

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Abstract

Sr3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Sr2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.63–2.68 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. In the second N3- site, N3- is bonded to six equivalent Sr2+ atoms to form a mixture of corner and edge-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 53°.

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36 MATERIALS SCIENCEcrystal structureN-SrSr3N2

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2020-07-14. Materials Data on Sr3N2 by Materials Project. https://doi.org/10.17188/1316759

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