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Title: Materials Data on CsInI4 by Materials Project

Abstract

CsInI4 crystallizes in the monoclinic P2_1/c 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 4.16–4.50 Å. In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 2.74–2.78 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one In3+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one In3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one In3+ atom.

Publication Date:
Other Number(s):
mp-607987
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; CsInI4; Cs-I-In
OSTI Identifier:
1277593
DOI:
https://doi.org/10.17188/1277593

Citation Formats

The Materials Project. Materials Data on CsInI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277593.
The Materials Project. Materials Data on CsInI4 by Materials Project. United States. doi:https://doi.org/10.17188/1277593
The Materials Project. 2020. "Materials Data on CsInI4 by Materials Project". United States. doi:https://doi.org/10.17188/1277593. https://www.osti.gov/servlets/purl/1277593. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1277593,
title = {Materials Data on CsInI4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsInI4 crystallizes in the monoclinic P2_1/c 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 4.16–4.50 Å. In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 2.74–2.78 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one In3+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and one In3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one In3+ atom.},
doi = {10.17188/1277593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}