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DOE OSTI · 1311670

Materials Data on CeB2C by Materials Project

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Abstract

CeB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All Ce–C bond lengths are 2.53 Å. In the second Ce4+ site, Ce4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing CeC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–C bond lengths are 2.68 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.49 Å. C4- is bonded to four Ce4+ and two equivalent B atoms to form a mixture of distorted edge and corner-sharing CCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–76°.

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36 MATERIALS SCIENCEB-C-CeCeB2Ccrystal structure

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2020-07-16. Materials Data on CeB2C by Materials Project. https://doi.org/10.17188/1311670

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