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DOE OSTI · 1284578

Materials Data on Sr2HN by Materials Project

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Abstract

Sr2NH is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to three equivalent N3- and three equivalent H1- atoms to form a mixture of corner and edge-sharing SrH3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–N bond lengths are 2.60 Å. All Sr–H bond lengths are 2.85 Å. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent HSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent HSr6 octahedra. The corner-sharing octahedral tilt angles are 7°. H1- is bonded to six equivalent Sr2+ atoms to form HSr6 octahedra that share corners with six equivalent NSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent HSr6 octahedra. The corner-sharing octahedral tilt angles are 7°.

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36 MATERIALS SCIENCEcrystal structureH-N-SrSr2HN

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2020-07-15. Materials Data on Sr2HN by Materials Project. https://doi.org/10.17188/1284578

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