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Title: Materials Data on NbTlO3 by Materials Project

Abstract

TlNbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.05 Å. Tl1+ 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 NbO6 octahedra. All Tl–O bond lengths are 2.91 Å. O2- is bonded in a distorted linear geometry to two equivalent Nb5+ and four equivalent Tl1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-977408
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; NbTlO3; Nb-O-Tl
OSTI Identifier:
1315718
DOI:
https://doi.org/10.17188/1315718

Citation Formats

The Materials Project. Materials Data on NbTlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315718.
The Materials Project. Materials Data on NbTlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1315718
The Materials Project. 2020. "Materials Data on NbTlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1315718. https://www.osti.gov/servlets/purl/1315718. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1315718,
title = {Materials Data on NbTlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TlNbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.05 Å. Tl1+ 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 NbO6 octahedra. All Tl–O bond lengths are 2.91 Å. O2- is bonded in a distorted linear geometry to two equivalent Nb5+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1315718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}