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DOE OSTI · 1275387

Materials Data on Cd3N2 by Materials Project

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Abstract

Cd3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Cd2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing CdN4 trigonal pyramids. There are a spread of Cd–N bond distances ranging from 2.27–2.53 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Cd2+ atoms to form a mixture of distorted corner and edge-sharing NCd6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. In the second N3- site, N3- is bonded to six equivalent Cd2+ atoms to form a mixture of corner and edge-sharing NCd6 octahedra. The corner-sharing octahedral tilt angles are 56°.

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36 MATERIALS SCIENCECd-NCd3N2crystal structure

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2020-04-30. Materials Data on Cd3N2 by Materials Project. https://doi.org/10.17188/1275387

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