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DOE OSTI · 1205233

Materials Data on LaBRh3 by Materials Project

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Abstract

LaRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to twelve equivalent Rh atoms to form LaRh12 cuboctahedra that share corners with twelve equivalent LaRh12 cuboctahedra, faces with six equivalent LaRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All La–Rh bond lengths are 3.03 Å. Rh is bonded to four equivalent La and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhLa4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.15 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 LaRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-La-Rhcrystal structureLaBRh3

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2020-07-16. Materials Data on LaBRh3 by Materials Project. https://doi.org/10.17188/1205233

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