skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KGaBr4 by Materials Project

Abstract

KGaBr4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of K–Br bond distances ranging from 3.41–3.75 Å. Ga3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are one shorter (2.36 Å) and three longer (2.37 Å) Ga–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to one K1+ and one Ga3+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Ga3+ atom. In the fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-28680
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; KGaBr4; Br-Ga-K
OSTI Identifier:
1202757
DOI:
10.17188/1202757

Citation Formats

The Materials Project. Materials Data on KGaBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202757.
The Materials Project. Materials Data on KGaBr4 by Materials Project. United States. doi:10.17188/1202757.
The Materials Project. 2020. "Materials Data on KGaBr4 by Materials Project". United States. doi:10.17188/1202757. https://www.osti.gov/servlets/purl/1202757. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1202757,
title = {Materials Data on KGaBr4 by Materials Project},
author = {The Materials Project},
abstractNote = {KGaBr4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of K–Br bond distances ranging from 3.41–3.75 Å. Ga3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are one shorter (2.36 Å) and three longer (2.37 Å) Ga–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to one K1+ and one Ga3+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Ga3+ atom. In the fourth Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom.},
doi = {10.17188/1202757},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: