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Title: Materials Data on In3SnI5 by Materials Project

Abstract

In3SnI5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of In–I bond distances ranging from 3.50–3.72 Å. In the second In1+ site, In1+ is bonded in a 7-coordinate geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 3.37–3.53 Å. In the third In1+ site, In1+ is bonded in a 5-coordinate geometry to five I1- atoms. There are a spread of In–I bond distances ranging from 3.43–3.64 Å. Sn2+ is bonded to six I1- atoms to form edge-sharing SnI6 octahedra. There are a spread of Sn–I bond distances ranging from 3.08–3.43 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to five In1+ and one Sn2+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two In1+ and one Sn2+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three In1+ and one Sn2+ atom. In the fourth I1- site, I1- is bonded in a 4-coordinatemore » geometry to two In1+ and two equivalent Sn2+ atoms. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three In1+ and one Sn2+ atom.« less

Publication Date:
Other Number(s):
mp-568522
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; In3SnI5; I-In-Sn
OSTI Identifier:
1274475
DOI:
10.17188/1274475

Citation Formats

The Materials Project. Materials Data on In3SnI5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274475.
The Materials Project. Materials Data on In3SnI5 by Materials Project. United States. doi:10.17188/1274475.
The Materials Project. 2020. "Materials Data on In3SnI5 by Materials Project". United States. doi:10.17188/1274475. https://www.osti.gov/servlets/purl/1274475. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1274475,
title = {Materials Data on In3SnI5 by Materials Project},
author = {The Materials Project},
abstractNote = {In3SnI5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of In–I bond distances ranging from 3.50–3.72 Å. In the second In1+ site, In1+ is bonded in a 7-coordinate geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 3.37–3.53 Å. In the third In1+ site, In1+ is bonded in a 5-coordinate geometry to five I1- atoms. There are a spread of In–I bond distances ranging from 3.43–3.64 Å. Sn2+ is bonded to six I1- atoms to form edge-sharing SnI6 octahedra. There are a spread of Sn–I bond distances ranging from 3.08–3.43 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to five In1+ and one Sn2+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two In1+ and one Sn2+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three In1+ and one Sn2+ atom. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to two In1+ and two equivalent Sn2+ atoms. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three In1+ and one Sn2+ atom.},
doi = {10.17188/1274475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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