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DOE OSTI · 1195643

Materials Data on In(Mo3Se4)2 by Materials Project

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Abstract

In(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.77 Å. In3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.96 Å) and six longer (3.29 Å) In–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Mo+2.17+ and one In3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.17+ and one In3+ atom.

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36 MATERIALS SCIENCEcrystal structureIn(Mo3Se4)2In-Mo-Se

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2020-07-15. Materials Data on In(Mo3Se4)2 by Materials Project. https://doi.org/10.17188/1195643

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