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Title: Materials Data on TlCuO2 by Materials Project

Abstract

CuTlO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. Tl3+ is bonded to six equivalent O2- atoms to form edge-sharing TlO6 octahedra. All Tl–O bond lengths are 2.33 Å. O2- is bonded to one Cu1+ and three equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OTl3Cu tetrahedra.

Publication Date:
Other Number(s):
mp-997029
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; TlCuO2; Cu-O-Tl
OSTI Identifier:
1317147
DOI:
https://doi.org/10.17188/1317147

Citation Formats

The Materials Project. Materials Data on TlCuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317147.
The Materials Project. Materials Data on TlCuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317147
The Materials Project. 2020. "Materials Data on TlCuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317147. https://www.osti.gov/servlets/purl/1317147. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1317147,
title = {Materials Data on TlCuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuTlO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.82 Å. Tl3+ is bonded to six equivalent O2- atoms to form edge-sharing TlO6 octahedra. All Tl–O bond lengths are 2.33 Å. O2- is bonded to one Cu1+ and three equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing OTl3Cu tetrahedra.},
doi = {10.17188/1317147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}