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Title: Materials Data on KGaI4 by Materials Project

Abstract

KGaI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.67–4.21 Å. Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ga–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-29402
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; KGaI4; Ga-I-K
OSTI Identifier:
1203778
DOI:
10.17188/1203778

Citation Formats

The Materials Project. Materials Data on KGaI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203778.
The Materials Project. Materials Data on KGaI4 by Materials Project. United States. doi:10.17188/1203778.
The Materials Project. 2020. "Materials Data on KGaI4 by Materials Project". United States. doi:10.17188/1203778. https://www.osti.gov/servlets/purl/1203778. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1203778,
title = {Materials Data on KGaI4 by Materials Project},
author = {The Materials Project},
abstractNote = {KGaI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.67–4.21 Å. Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ga–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom.},
doi = {10.17188/1203778},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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