DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Tb2Nb2O7 by Materials Project

Abstract

Tb2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.25 Å) and six longer (2.45 Å) Tb–O bond lengths. Nb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Nb–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Nb4+ atoms to form a mixture of distorted edge and corner-sharing OTb2Nb2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-754174
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; Tb2Nb2O7; Nb-O-Tb
OSTI Identifier:
1289280
DOI:
https://doi.org/10.17188/1289280

Citation Formats

The Materials Project. Materials Data on Tb2Nb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289280.
The Materials Project. Materials Data on Tb2Nb2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1289280
The Materials Project. 2020. "Materials Data on Tb2Nb2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1289280. https://www.osti.gov/servlets/purl/1289280. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1289280,
title = {Materials Data on Tb2Nb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.25 Å) and six longer (2.45 Å) Tb–O bond lengths. Nb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Nb–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Nb4+ atoms to form a mixture of distorted edge and corner-sharing OTb2Nb2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.},
doi = {10.17188/1289280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}