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Title: Materials Data on In2Se3 by Materials Project

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.

Authors:
Publication Date:
Other Number(s):
mp-1017565
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; In2Se3; In-Se
OSTI Identifier:
1349826
DOI:
https://doi.org/10.17188/1349826

Citation Formats

The Materials Project. Materials Data on In2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349826.
The Materials Project. Materials Data on In2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1349826
The Materials Project. 2020. "Materials Data on In2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1349826. https://www.osti.gov/servlets/purl/1349826. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1349826,
title = {Materials Data on In2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1349826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}