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Title: Materials Data on In2Se3 by Materials Project

Abstract

In2Se3 crystallizes in the hexagonal P6_5 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.95–3.25 Å. In the second In3+ site, In3+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of In–Se bond distances ranging from 2.51–2.96 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three In3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to one In3+ and one Se2- atom. The Se–Se bond length is 2.44 Å. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three In3+ and one Se2- atom.

Publication Date:
Other Number(s):
mp-672673
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; In2Se3; In-Se
OSTI Identifier:
1281894
DOI:
10.17188/1281894

Citation Formats

The Materials Project. Materials Data on In2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281894.
The Materials Project. Materials Data on In2Se3 by Materials Project. United States. doi:10.17188/1281894.
The Materials Project. 2020. "Materials Data on In2Se3 by Materials Project". United States. doi:10.17188/1281894. https://www.osti.gov/servlets/purl/1281894. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1281894,
title = {Materials Data on In2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {In2Se3 crystallizes in the hexagonal P6_5 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.95–3.25 Å. In the second In3+ site, In3+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of In–Se bond distances ranging from 2.51–2.96 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three In3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to one In3+ and one Se2- atom. The Se–Se bond length is 2.44 Å. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three In3+ and one Se2- atom.},
doi = {10.17188/1281894},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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