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Title: Materials Data on NbTlO14 by Materials Project

Abstract

NbO12TlO2 is Cuprite-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight NbO12 clusters and one TlO2 framework. In each NbO12 cluster, Nb is bonded in a cuboctahedral geometry to twelve equivalent O atoms. All Nb–O bond lengths are 2.21 Å. O is bonded in a 1-coordinate geometry to one Nb and two equivalent O atoms. Both O–O bond lengths are 1.82 Å. In the TlO2 framework, Tl is bonded to four equivalent O atoms to form corner-sharing TlO4 tetrahedra. All Tl–O bond lengths are 2.36 Å. O is bonded in a linear geometry to two equivalent Tl atoms.

Authors:
Publication Date:
Other Number(s):
mp-1210118
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; NbTlO14; Nb-O-Tl
OSTI Identifier:
1718612
DOI:
https://doi.org/10.17188/1718612

Citation Formats

The Materials Project. Materials Data on NbTlO14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718612.
The Materials Project. Materials Data on NbTlO14 by Materials Project. United States. doi:https://doi.org/10.17188/1718612
The Materials Project. 2020. "Materials Data on NbTlO14 by Materials Project". United States. doi:https://doi.org/10.17188/1718612. https://www.osti.gov/servlets/purl/1718612. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1718612,
title = {Materials Data on NbTlO14 by Materials Project},
author = {The Materials Project},
abstractNote = {NbO12TlO2 is Cuprite-derived structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight NbO12 clusters and one TlO2 framework. In each NbO12 cluster, Nb is bonded in a cuboctahedral geometry to twelve equivalent O atoms. All Nb–O bond lengths are 2.21 Å. O is bonded in a 1-coordinate geometry to one Nb and two equivalent O atoms. Both O–O bond lengths are 1.82 Å. In the TlO2 framework, Tl is bonded to four equivalent O atoms to form corner-sharing TlO4 tetrahedra. All Tl–O bond lengths are 2.36 Å. O is bonded in a linear geometry to two equivalent Tl atoms.},
doi = {10.17188/1718612},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}