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DOE OSTI · 1284577

Materials Data on K3ReH6 by Materials Project

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Abstract

K3ReH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve equivalent H1- atoms. All K–H bond lengths are 3.08 Å. In the second K1+ site, K1+ is bonded to six equivalent H1- atoms to form KH6 octahedra that share corners with six equivalent ReH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.54 Å. Re3+ is bonded to six equivalent H1- atoms to form ReH6 octahedra that share corners with six equivalent KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Re–H bond lengths are 1.79 Å. H1- is bonded in a linear geometry to five K1+ and one Re3+ atom.

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36 MATERIALS SCIENCEcrystal structureH-K-ReK3ReH6

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2020-07-15. Materials Data on K3ReH6 by Materials Project. https://doi.org/10.17188/1284577

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