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DOE OSTI · 1316852

Materials Data on Cs2TlGaH6 by Materials Project

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Abstract

Cs2GaH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2GaH6 framework. In the Cs2GaH6 framework, Cs1+ is bonded to twelve equivalent H1- atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent GaH6 octahedra. All Cs–H bond lengths are 3.16 Å. Ga3+ is bonded to six equivalent H1- atoms to form GaH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Ga–H bond lengths are 1.80 Å. H1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Ga3+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-Ga-H-TlCs2TlGaH6

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2020-07-22. Materials Data on Cs2TlGaH6 by Materials Project. https://doi.org/10.17188/1316852

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