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Title: Materials Data on Tl2O3 by Materials Project

Abstract

Tl2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Tl–O bond distances ranging from 2.26–2.36 Å. In the second Tl3+ site, Tl3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Tl–O bond lengths are 2.31 Å. O2- is bonded to four Tl3+ atoms to form a mixture of distorted edge and corner-sharing OTl4 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1658
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; Tl2O3; O-Tl
OSTI Identifier:
1192040
DOI:
https://doi.org/10.17188/1192040

Citation Formats

The Materials Project. Materials Data on Tl2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192040.
The Materials Project. Materials Data on Tl2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1192040
The Materials Project. 2020. "Materials Data on Tl2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1192040. https://www.osti.gov/servlets/purl/1192040. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192040,
title = {Materials Data on Tl2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Tl–O bond distances ranging from 2.26–2.36 Å. In the second Tl3+ site, Tl3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Tl–O bond lengths are 2.31 Å. O2- is bonded to four Tl3+ atoms to form a mixture of distorted edge and corner-sharing OTl4 trigonal pyramids.},
doi = {10.17188/1192040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}