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Title: Materials Data on CsFeI4 by Materials Project

Abstract

CsFeI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to eleven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.10–4.64 Å. Fe3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Fe–I bond distances ranging from 2.54–2.58 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Fe3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Fe3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom.

Publication Date:
Other Number(s):
mp-568620
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; CsFeI4; Cs-Fe-I
OSTI Identifier:
1274551
DOI:
10.17188/1274551

Citation Formats

The Materials Project. Materials Data on CsFeI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274551.
The Materials Project. Materials Data on CsFeI4 by Materials Project. United States. doi:10.17188/1274551.
The Materials Project. 2020. "Materials Data on CsFeI4 by Materials Project". United States. doi:10.17188/1274551. https://www.osti.gov/servlets/purl/1274551. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1274551,
title = {Materials Data on CsFeI4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsFeI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to eleven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.10–4.64 Å. Fe3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Fe–I bond distances ranging from 2.54–2.58 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Fe3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Fe3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom.},
doi = {10.17188/1274551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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