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DOE OSTI · 1187744

Materials Data on UB2C by Materials Project

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Abstract

UB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All U–C bond lengths are 2.44 Å. In the second U4+ site, U4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing UC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.60 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded to four U4+ and two equivalent B atoms to form a mixture of distorted edge and corner-sharing CU4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–78°.

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36 MATERIALS SCIENCEB-C-Ucrystal structureUB2C

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2020-07-16. Materials Data on UB2C by Materials Project. https://doi.org/10.17188/1187744

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