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DOE OSTI · 1204396

Materials Data on ThB2C by Materials Project

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Abstract

ThB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All Th–C bond lengths are 2.58 Å. In the second Th4+ site, Th4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing ThC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.72 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 in a distorted linear geometry to four Th4+ and two equivalent B atoms.

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36 MATERIALS SCIENCEB-C-Thcrystal structureThB2C

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2017-05-10. Materials Data on ThB2C by Materials Project. https://doi.org/10.17188/1204396

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