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

Title: Materials Data on KAuI4 by Materials Project

Abstract

KAuI4 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 3.68–3.86 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four I1- atoms. All Au–I bond lengths are 2.68 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four I1- atoms. All Au–I bond lengths are 2.69 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded to three equivalent K1+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing IK3Au tetrahedra. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the fourth I1- site, I1- is bonded in a water-like geometry to one K1+ and one Au3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-29519
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KAuI4; Au-I-K
OSTI Identifier:
1203987
DOI:
https://doi.org/10.17188/1203987

Citation Formats

The Materials Project. Materials Data on KAuI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203987.
The Materials Project. Materials Data on KAuI4 by Materials Project. United States. doi:https://doi.org/10.17188/1203987
The Materials Project. 2020. "Materials Data on KAuI4 by Materials Project". United States. doi:https://doi.org/10.17188/1203987. https://www.osti.gov/servlets/purl/1203987. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1203987,
title = {Materials Data on KAuI4 by Materials Project},
author = {The Materials Project},
abstractNote = {KAuI4 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 3.68–3.86 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four I1- atoms. All Au–I bond lengths are 2.68 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four I1- atoms. All Au–I bond lengths are 2.69 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded to three equivalent K1+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing IK3Au tetrahedra. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the fourth I1- site, I1- is bonded in a water-like geometry to one K1+ and one Au3+ atom.},
doi = {10.17188/1203987},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}