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

Title: Materials Data on TlAuCl4 by Materials Project

Abstract

AuTlCl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. 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. Tl1+ is bonded in a distorted q6 geometry to ten Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.44–3.65 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ and two equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Au3+ and three equivalent Tl1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28368
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; TlAuCl4; Au-Cl-Tl
OSTI Identifier:
1202483
DOI:
https://doi.org/10.17188/1202483

Citation Formats

The Materials Project. Materials Data on TlAuCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202483.
The Materials Project. Materials Data on TlAuCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1202483
The Materials Project. 2020. "Materials Data on TlAuCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1202483. https://www.osti.gov/servlets/purl/1202483. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202483,
title = {Materials Data on TlAuCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {AuTlCl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. 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. Tl1+ is bonded in a distorted q6 geometry to ten Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.44–3.65 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ and two equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Au3+ and three equivalent Tl1+ atoms.},
doi = {10.17188/1202483},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}