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Title: Materials Data on In5S4 by Materials Project

Abstract

In5S4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight indium molecules and one InS framework. In the InS framework, there are two inequivalent In+1.60+ sites. In the first In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All In–S bond lengths are 2.58 Å. In the second In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of In–S bond distances ranging from 2.53–2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In+1.60+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent In+1.60+ atoms.

Publication Date:
Other Number(s):
mp-22846
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; In5S4; In-S
OSTI Identifier:
1199012
DOI:
10.17188/1199012

Citation Formats

The Materials Project. Materials Data on In5S4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199012.
The Materials Project. Materials Data on In5S4 by Materials Project. United States. doi:10.17188/1199012.
The Materials Project. 2020. "Materials Data on In5S4 by Materials Project". United States. doi:10.17188/1199012. https://www.osti.gov/servlets/purl/1199012. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1199012,
title = {Materials Data on In5S4 by Materials Project},
author = {The Materials Project},
abstractNote = {In5S4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight indium molecules and one InS framework. In the InS framework, there are two inequivalent In+1.60+ sites. In the first In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All In–S bond lengths are 2.58 Å. In the second In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of In–S bond distances ranging from 2.53–2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In+1.60+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent In+1.60+ atoms.},
doi = {10.17188/1199012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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