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DOE OSTI · 1349826

Materials Data on In2Se3 by Materials Project

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Abstract

In2Se3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one In2Se3 sheet oriented in the (0, 0, 1) direction. In3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.68 Å) and three longer (2.99 Å) In–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent In3+ atoms to form edge-sharing SeIn6 octahedra. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent In3+ atoms.

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36 MATERIALS SCIENCEcrystal structureIn-SeIn2Se3

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2020-07-16. Materials Data on In2Se3 by Materials Project. https://doi.org/10.17188/1349826

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