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Title: Materials Data on CsSrI3 by Materials Project

Abstract

CsSrI3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve I1- atoms. There are a spread of Cs–I bond distances ranging from 4.45–4.71 Å. Sr2+ is bonded to six I1- atoms to form corner-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Sr–I bond distances ranging from 3.22–3.25 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms.

Publication Date:
Other Number(s):
mp-998417
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; CsSrI3; Cs-I-Sr
OSTI Identifier:
1317324
DOI:
10.17188/1317324

Citation Formats

The Materials Project. Materials Data on CsSrI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317324.
The Materials Project. Materials Data on CsSrI3 by Materials Project. United States. doi:10.17188/1317324.
The Materials Project. 2020. "Materials Data on CsSrI3 by Materials Project". United States. doi:10.17188/1317324. https://www.osti.gov/servlets/purl/1317324. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317324,
title = {Materials Data on CsSrI3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSrI3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve I1- atoms. There are a spread of Cs–I bond distances ranging from 4.45–4.71 Å. Sr2+ is bonded to six I1- atoms to form corner-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Sr–I bond distances ranging from 3.22–3.25 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms.},
doi = {10.17188/1317324},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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