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DOE OSTI · 1199181

Materials Data on Sr2NCl by Materials Project

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Abstract

Sr2NCl 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 Cl1- atoms to form a mixture of corner and edge-sharing SrN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–N bond lengths are 2.63 Å. All Sr–Cl bond lengths are 3.16 Å. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent ClSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent ClSr6 octahedra. The corner-sharing octahedral tilt angles are 13°. Cl1- is bonded to six equivalent Sr2+ atoms to form distorted ClSr6 octahedra that share corners with six equivalent NSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent ClSr6 octahedra. The corner-sharing octahedral tilt angles are 13°.

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36 MATERIALS SCIENCECl-N-Srcrystal structureSr2NCl

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2020-07-14. Materials Data on Sr2NCl by Materials Project. https://doi.org/10.17188/1199181

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