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Title: Materials Data on CsAuCl4 by Materials Project

Abstract

CsAuCl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.68–3.92 Å. Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.32 Å) and two longer (2.33 Å) Au–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom.

Publication Date:
Other Number(s):
mp-1095499
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; CsAuCl4; Au-Cl-Cs
OSTI Identifier:
1672237
DOI:
https://doi.org/10.17188/1672237

Citation Formats

The Materials Project. Materials Data on CsAuCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672237.
The Materials Project. Materials Data on CsAuCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1672237
The Materials Project. 2020. "Materials Data on CsAuCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1672237. https://www.osti.gov/servlets/purl/1672237. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672237,
title = {Materials Data on CsAuCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAuCl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.68–3.92 Å. Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.32 Å) and two longer (2.33 Å) Au–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom.},
doi = {10.17188/1672237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}