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DOE OSTI · 1275317

Materials Data on Cs2TaCl6 by Materials Project

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Abstract

Cs2TaCl6 crystallizes in the cubic Fm-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 four equivalent TaCl6 octahedra. All Cs–Cl bond lengths are 3.79 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Ta–Cl bond lengths are 2.43 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ta4+ atom.

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36 MATERIALS SCIENCECl-Cs-Tacrystal structureCs2TaCl6

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2020-07-16. Materials Data on Cs2TaCl6 by Materials Project. https://doi.org/10.17188/1275317

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