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DOE OSTI · 1685848

Materials Data on Ho7PtI12 by Materials Project

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Abstract

Ho7PtI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to one Pt and five I atoms to form a mixture of distorted corner and edge-sharing HoPtI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Ho–Pt bond length is 2.71 Å. There are a spread of Ho–I bond distances ranging from 3.11–3.33 Å. In the second Ho site, Ho is bonded to six equivalent I atoms to form edge-sharing HoI6 octahedra. All Ho–I bond lengths are 3.07 Å. Pt is bonded in an octahedral geometry to six equivalent Ho atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Ho atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Ho atoms.

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36 MATERIALS SCIENCEcrystal structureHo-I-PtHo7PtI12

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2020-05-02. Materials Data on Ho7PtI12 by Materials Project. https://doi.org/10.17188/1685848

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