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Title: Materials Data on KAuBr4 by Materials Project

Abstract

KAuBr4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of K–Br bond distances ranging from 3.42–3.95 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four Br1- atoms. All Au–Br bond lengths are 2.48 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four Br1- atoms. All Au–Br bond lengths are 2.48 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Au3+ atom. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom.

Publication Date:
Other Number(s):
mp-29694
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; KAuBr4; Au-Br-K
OSTI Identifier:
1204172
DOI:
https://doi.org/10.17188/1204172

Citation Formats

The Materials Project. Materials Data on KAuBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204172.
The Materials Project. Materials Data on KAuBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1204172
The Materials Project. 2020. "Materials Data on KAuBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1204172. https://www.osti.gov/servlets/purl/1204172. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1204172,
title = {Materials Data on KAuBr4 by Materials Project},
author = {The Materials Project},
abstractNote = {KAuBr4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of K–Br bond distances ranging from 3.42–3.95 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four Br1- atoms. All Au–Br bond lengths are 2.48 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four Br1- atoms. All Au–Br bond lengths are 2.48 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Au3+ atom. In the fourth Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom.},
doi = {10.17188/1204172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}