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Title: Materials Data on Cs2SnI6 by Materials Project

Abstract

Cs2SnI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent SnI6 octahedra. All Cs–I bond lengths are 4.27 Å. Sn4+ is bonded to six equivalent I1- atoms to form SnI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Sn–I bond lengths are 2.91 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sn4+ atom.

Publication Date:
Other Number(s):
mp-27636
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; Cs2SnI6; Cs-I-Sn
OSTI Identifier:
1201833
DOI:
https://doi.org/10.17188/1201833

Citation Formats

The Materials Project. Materials Data on Cs2SnI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201833.
The Materials Project. Materials Data on Cs2SnI6 by Materials Project. United States. doi:https://doi.org/10.17188/1201833
The Materials Project. 2020. "Materials Data on Cs2SnI6 by Materials Project". United States. doi:https://doi.org/10.17188/1201833. https://www.osti.gov/servlets/purl/1201833. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1201833,
title = {Materials Data on Cs2SnI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2SnI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent SnI6 octahedra. All Cs–I bond lengths are 4.27 Å. Sn4+ is bonded to six equivalent I1- atoms to form SnI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Sn–I bond lengths are 2.91 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sn4+ atom.},
doi = {10.17188/1201833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}