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DOE OSTI · 1204406

Materials Data on SrN by Materials Project

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Abstract

SrN crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to seven N2- atoms to form a mixture of distorted edge and face-sharing SrN7 pentagonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.62–3.00 Å. In the second Sr2+ site, Sr2+ is bonded in a rectangular see-saw-like geometry to four N2- atoms. There are a spread of Sr–N bond distances ranging from 2.57–2.65 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 6-coordinate geometry to five Sr2+ and one N2- atom. The N–N bond length is 1.23 Å. In the second N2- site, N2- is bonded to six Sr2+ atoms to form edge-sharing NSr6 octahedra.

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36 MATERIALS SCIENCEcrystal structureN-SrSrN

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2020-07-16. Materials Data on SrN by Materials Project. https://doi.org/10.17188/1204406

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