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DOE OSTI · 1280234

Materials Data on Cs3H5Pt by Materials Project

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Abstract

Cs3PtH5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a linear geometry to two equivalent H+0.20- atoms. Both Cs–H bond lengths are 3.10 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight H+0.20- atoms. There are a spread of Cs–H bond distances ranging from 3.06–3.20 Å. Pt2- is bonded in a square co-planar geometry to four equivalent H+0.20- atoms. All Pt–H bond lengths are 1.66 Å. There are two inequivalent H+0.20- sites. In the first H+0.20- site, H+0.20- is bonded to six Cs1+ atoms to form corner-sharing HCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. In the second H+0.20- site, H+0.20- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cs1+ and one Pt2- atom.

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36 MATERIALS SCIENCEcrystal structureCs-H-PtCs3H5Pt

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2020-07-18. Materials Data on Cs3H5Pt by Materials Project. https://doi.org/10.17188/1280234

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