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DOE OSTI · 1263240

Materials Data on In4GeSe4 by Materials Project

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Abstract

Ge(InSe)4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight germanium molecules and one InSe framework. In the InSe framework, there are two inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.65–2.72 Å. In the second In1+ site, In1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Se2- atoms. All In–Se bond lengths are 2.72 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In1+ atoms. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In1+ atoms.

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36 MATERIALS SCIENCEcrystal structureGe-In-SeIn4GeSe4

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2020-04-30. Materials Data on In4GeSe4 by Materials Project. https://doi.org/10.17188/1263240

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