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Title: Materials Data on CsSnI3 by Materials Project

Abstract

CsSnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.05–4.43 Å. Sn2+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 6–21°. There are two shorter (3.16 Å) and four longer (3.17 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Sn2+ atoms. In the second I1- site, I1- is bonded to three equivalent Cs1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner and edge-sharing ICs3Sn2 square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-568570
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; CsSnI3; Cs-I-Sn
OSTI Identifier:
1274524
DOI:
https://doi.org/10.17188/1274524

Citation Formats

The Materials Project. Materials Data on CsSnI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274524.
The Materials Project. Materials Data on CsSnI3 by Materials Project. United States. doi:https://doi.org/10.17188/1274524
The Materials Project. 2020. "Materials Data on CsSnI3 by Materials Project". United States. doi:https://doi.org/10.17188/1274524. https://www.osti.gov/servlets/purl/1274524. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1274524,
title = {Materials Data on CsSnI3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSnI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.05–4.43 Å. Sn2+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 6–21°. There are two shorter (3.16 Å) and four longer (3.17 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Sn2+ atoms. In the second I1- site, I1- is bonded to three equivalent Cs1+ and two equivalent Sn2+ atoms to form a mixture of distorted corner and edge-sharing ICs3Sn2 square pyramids.},
doi = {10.17188/1274524},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}