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Title: Materials Data on Tl3H by Materials Project

Abstract

(Tl)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four dihydrogen molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Tl atoms to form a mixture of distorted edge and corner-sharing TlTl4 tetrahedra. All Tl–Tl bond lengths are 3.24 Å. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent Tl atoms.

Authors:
Publication Date:
Other Number(s):
mp-971826
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; Tl3H; H-Tl
OSTI Identifier:
1313640
DOI:
https://doi.org/10.17188/1313640

Citation Formats

The Materials Project. Materials Data on Tl3H by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313640.
The Materials Project. Materials Data on Tl3H by Materials Project. United States. doi:https://doi.org/10.17188/1313640
The Materials Project. 2020. "Materials Data on Tl3H by Materials Project". United States. doi:https://doi.org/10.17188/1313640. https://www.osti.gov/servlets/purl/1313640. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1313640,
title = {Materials Data on Tl3H by Materials Project},
author = {The Materials Project},
abstractNote = {(Tl)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four dihydrogen molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Tl atoms to form a mixture of distorted edge and corner-sharing TlTl4 tetrahedra. All Tl–Tl bond lengths are 3.24 Å. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent Tl atoms.},
doi = {10.17188/1313640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}