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DOE OSTI · 1676356

Materials Data on CsYbCl3 by Materials Project

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Abstract

CsYbCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent YbCl6 octahedra. All Cs–Cl bond lengths are 3.84 Å. Yb2+ is bonded to six equivalent Cl1- atoms to form YbCl6 octahedra that share corners with six equivalent YbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Cl bond lengths are 2.71 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Yb2+ atoms.

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36 MATERIALS SCIENCECl-Cs-Ybcrystal structureCsYbCl3

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2020-05-03. Materials Data on CsYbCl3 by Materials Project. https://doi.org/10.17188/1676356

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