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Title: Materials Data on Cs3InI6 by Materials Project

Abstract

(Cs)2CsInI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight cesium molecules and one CsInI6 framework. In the CsInI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.62 Å. In3+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent CsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.95 Å. I1- is bonded in a linear geometry to one Cs1+ and one In3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1112969
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; Cs3InI6; Cs-I-In
OSTI Identifier:
1688205
DOI:
https://doi.org/10.17188/1688205

Citation Formats

The Materials Project. Materials Data on Cs3InI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688205.
The Materials Project. Materials Data on Cs3InI6 by Materials Project. United States. doi:https://doi.org/10.17188/1688205
The Materials Project. 2020. "Materials Data on Cs3InI6 by Materials Project". United States. doi:https://doi.org/10.17188/1688205. https://www.osti.gov/servlets/purl/1688205. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1688205,
title = {Materials Data on Cs3InI6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Cs)2CsInI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight cesium molecules and one CsInI6 framework. In the CsInI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent InI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.62 Å. In3+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent CsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.95 Å. I1- is bonded in a linear geometry to one Cs1+ and one In3+ atom.},
doi = {10.17188/1688205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}