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DOE OSTI · 1274490

Materials Data on CsCdCl3 by Materials Project

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Abstract

CsCdCl3 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 CdCl6 octahedra. All Cs–Cl bond lengths are 3.77 Å. Cd2+ is bonded to six equivalent Cl1- atoms to form CdCl6 octahedra that share corners with six equivalent CdCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–Cl bond lengths are 2.66 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Cd2+ atoms.

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36 MATERIALS SCIENCECd-Cl-Cscrystal structureCsCdCl3

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2020-07-16. Materials Data on CsCdCl3 by Materials Project. https://doi.org/10.17188/1274490

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