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}
}
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