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DOE OSTI · 1191514

Materials Data on Sn3N4 by Materials Project

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Abstract

Sn3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six equivalent N3- atoms to form SnN6 octahedra that share corners with six equivalent SnN4 tetrahedra and edges with six equivalent SnN6 octahedra. All Sn–N bond lengths are 2.21 Å. In the second Sn4+ site, Sn4+ is bonded to four equivalent N3- atoms to form corner-sharing SnN4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Sn–N bond lengths are 2.12 Å. N3- is bonded to four Sn4+ atoms to form a mixture of distorted corner and edge-sharing NSn4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureN-SnSn3N4

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2020-07-15. Materials Data on Sn3N4 by Materials Project. https://doi.org/10.17188/1191514

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