Materials Data on CeB2C by Materials Project
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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