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DOE OSTI · 1711874

Materials Data on Na2TbCuCl6 by Materials Project

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Abstract

(Na)2TbCuCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one TbCuCl6 framework. In the TbCuCl6 framework, Tb3+ is bonded to six equivalent Cl1- atoms to form TbCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Cl bond lengths are 2.63 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent TbCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Tb3+ and one Cu1+ atom.

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36 MATERIALS SCIENCECl-Cu-Na-Tbcrystal structureNa2TbCuCl6

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2020-05-03. Materials Data on Na2TbCuCl6 by Materials Project. https://doi.org/10.17188/1711874

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