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Title: Materials Data on TlTeF5 by Materials Project

Abstract

TlTeF5 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two TlTeF5 sheets oriented in the (0, 0, 1) direction. Tl1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.90–3.39 Å. Te4+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.93–2.03 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Tl1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Tl1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Tl1+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-29903
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; TlTeF5; F-Te-Tl
OSTI Identifier:
1204332
DOI:
https://doi.org/10.17188/1204332

Citation Formats

The Materials Project. Materials Data on TlTeF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204332.
The Materials Project. Materials Data on TlTeF5 by Materials Project. United States. doi:https://doi.org/10.17188/1204332
The Materials Project. 2020. "Materials Data on TlTeF5 by Materials Project". United States. doi:https://doi.org/10.17188/1204332. https://www.osti.gov/servlets/purl/1204332. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204332,
title = {Materials Data on TlTeF5 by Materials Project},
author = {The Materials Project},
abstractNote = {TlTeF5 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two TlTeF5 sheets oriented in the (0, 0, 1) direction. Tl1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.90–3.39 Å. Te4+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.93–2.03 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Tl1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Tl1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Tl1+ and one Te4+ atom.},
doi = {10.17188/1204332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}