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DOE OSTI · 1729406

Materials Data on Ce4SiRh12 by Materials Project

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Abstract

Ce4Rh12Si crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ce is bonded to twelve Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with two equivalent SiRh6 octahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Ce–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Rh site, Rh is bonded in a 5-coordinate geometry to four equivalent Ce and one Si atom. The Rh–Si bond length is 2.32 Å. Si is bonded to six equivalent Rh atoms to form SiRh6 octahedra that share faces with eight equivalent CeRh12 cuboctahedra.

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36 MATERIALS SCIENCECe-Rh-SiCe4SiRh12crystal structure

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2020-05-03. Materials Data on Ce4SiRh12 by Materials Project. https://doi.org/10.17188/1729406

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