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Title: Materials Data on TlBiF4 by Materials Project

Abstract

TlBiF4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.78–3.22 Å. Bi3+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.18–2.46 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Tl1+ and two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one Bi3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two equivalent Bi3+ atoms. In the fourth F1- site, F1- is bonded to two equivalent Tl1+ and two equivalent Bi3+ atoms to form distorted corner-sharing FTl2Bi2 tetrahedra.

Publication Date:
Other Number(s):
mp-1216759
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; TlBiF4; Bi-F-Tl
OSTI Identifier:
1677682
DOI:
https://doi.org/10.17188/1677682

Citation Formats

The Materials Project. Materials Data on TlBiF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677682.
The Materials Project. Materials Data on TlBiF4 by Materials Project. United States. doi:https://doi.org/10.17188/1677682
The Materials Project. 2020. "Materials Data on TlBiF4 by Materials Project". United States. doi:https://doi.org/10.17188/1677682. https://www.osti.gov/servlets/purl/1677682. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677682,
title = {Materials Data on TlBiF4 by Materials Project},
author = {The Materials Project},
abstractNote = {TlBiF4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Tl1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.78–3.22 Å. Bi3+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.18–2.46 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Tl1+ and two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one Bi3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two equivalent Bi3+ atoms. In the fourth F1- site, F1- is bonded to two equivalent Tl1+ and two equivalent Bi3+ atoms to form distorted corner-sharing FTl2Bi2 tetrahedra.},
doi = {10.17188/1677682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}