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DOE OSTI · 1266637

Materials Data on C2Se3N2 by Materials Project

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Abstract

C2N2Se3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. C4+ is bonded in a distorted single-bond geometry to one N1- and one Se2- atom. The C–N bond length is 1.17 Å. The C–Se bond length is 1.85 Å. N1- is bonded in a single-bond geometry to one C4+ and three Se2- atoms. There are a spread of N–Se bond distances ranging from 3.20–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to one C4+, two equivalent N1-, and one Se2- atom. The Se–Se bond length is 2.37 Å. In the second Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to two equivalent N1- and two equivalent Se2- atoms.

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36 MATERIALS SCIENCEC-N-SeC2Se3N2crystal structure

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2020-07-18. Materials Data on C2Se3N2 by Materials Project. https://doi.org/10.17188/1266637

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