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DOE OSTI · 1313027

Materials Data on SrCN2 by Materials Project

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Abstract

SrCN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to six N3- atoms to form a mixture of corner and edge-sharing SrN6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are a spread of Sr–N bond distances ranging from 2.63–2.70 Å. C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Sr2+ and one C4+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra. In the second N3- site, N3- is bonded to three equivalent Sr2+ and one C4+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra.

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36 MATERIALS SCIENCEC-N-Srcrystal structureSrCN2

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2017-05-25. Materials Data on SrCN2 by Materials Project. https://doi.org/10.17188/1313027

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