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Title: Materials Data on TlBF4 by Materials Project

Abstract

TlBF4 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 12-coordinate geometry to ten F1- atoms. There are a spread of Tl–F bond distances ranging from 2.97–3.27 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.41–1.43 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent Tl1+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Tl1+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Tl1+ and one B3+ atom.

Publication Date:
Other Number(s):
mp-30548
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; TlBF4; B-F-Tl
OSTI Identifier:
1204943
DOI:
https://doi.org/10.17188/1204943

Citation Formats

The Materials Project. Materials Data on TlBF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204943.
The Materials Project. Materials Data on TlBF4 by Materials Project. United States. doi:https://doi.org/10.17188/1204943
The Materials Project. 2020. "Materials Data on TlBF4 by Materials Project". United States. doi:https://doi.org/10.17188/1204943. https://www.osti.gov/servlets/purl/1204943. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1204943,
title = {Materials Data on TlBF4 by Materials Project},
author = {The Materials Project},
abstractNote = {TlBF4 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 12-coordinate geometry to ten F1- atoms. There are a spread of Tl–F bond distances ranging from 2.97–3.27 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.41–1.43 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent Tl1+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Tl1+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Tl1+ and one B3+ atom.},
doi = {10.17188/1204943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}