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DOE OSTI · 1262903

Materials Data on CeBRh3 by Materials Project

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Abstract

CeRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Ce–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Ce and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhCe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent CeRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Ce-RhCeBRh3crystal structure

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2020-07-14. Materials Data on CeBRh3 by Materials Project. https://doi.org/10.17188/1262903

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