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Title: Materials Data on TlCuO3 by Materials Project

Abstract

CuTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.92 Å. Tl3+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Tl–O bond lengths are 2.72 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu3+ and four equivalent Tl3+ atoms.

Publication Date:
Other Number(s):
mp-1187483
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; TlCuO3; Cu-O-Tl
OSTI Identifier:
1751252
DOI:
https://doi.org/10.17188/1751252

Citation Formats

The Materials Project. Materials Data on TlCuO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751252.
The Materials Project. Materials Data on TlCuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1751252
The Materials Project. 2020. "Materials Data on TlCuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1751252. https://www.osti.gov/servlets/purl/1751252. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751252,
title = {Materials Data on TlCuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CuTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.92 Å. Tl3+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Tl–O bond lengths are 2.72 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu3+ and four equivalent Tl3+ atoms.},
doi = {10.17188/1751252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}