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DOE OSTI · 1207119

Materials Data on Ce3(BN2)2 by Materials Project

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Abstract

Ce3(BN2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six equivalent N3- atoms to form distorted edge-sharing CeN6 pentagonal pyramids. There are two shorter (2.42 Å) and four longer (2.52 Å) Ce–N bond lengths. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ce–N bond lengths are 2.64 Å. B is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.49 Å. N3- is bonded in a distorted single-bond geometry to five Ce4+ and one B atom.

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36 MATERIALS SCIENCEB-Ce-NCe3(BN2)2crystal structure

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2020-07-14. Materials Data on Ce3(BN2)2 by Materials Project. https://doi.org/10.17188/1207119

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