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Title: Materials Data on TlAuF6 by Materials Project

Abstract

AuTlF6 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Au5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. Tl1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.15–2.59 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Tl1+ atom. In the second F1- site, F1- is bonded in a distorted water-like geometry to one Au5+ and one Tl1+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Tl1+ atoms. In the fourth F1- site, F1- is bonded in a water-like geometry to one Au5+ and one Tl1+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tl1+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tl1+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to onemore » Au5+ and one Tl1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-30308
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; TlAuF6; Au-F-Tl
OSTI Identifier:
1204730
DOI:
https://doi.org/10.17188/1204730

Citation Formats

The Materials Project. Materials Data on TlAuF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204730.
The Materials Project. Materials Data on TlAuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1204730
The Materials Project. 2020. "Materials Data on TlAuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1204730. https://www.osti.gov/servlets/purl/1204730. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204730,
title = {Materials Data on TlAuF6 by Materials Project},
author = {The Materials Project},
abstractNote = {AuTlF6 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Au5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (1.97 Å) Au–F bond length. Tl1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.15–2.59 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Tl1+ atom. In the second F1- site, F1- is bonded in a distorted water-like geometry to one Au5+ and one Tl1+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Tl1+ atoms. In the fourth F1- site, F1- is bonded in a water-like geometry to one Au5+ and one Tl1+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tl1+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tl1+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Tl1+ atom.},
doi = {10.17188/1204730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}