U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-754174
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Nb-O-Tb; Tb2Nb2O7; crystal structure
- OSTI Identifier:
- 1289280
- DOI:
- https://doi.org/10.17188/1289280
Citation Formats
Materials Data on Tb2Nb2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289280.
Materials Data on Tb2Nb2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1289280
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 04:00:00 UTC 2020
@article{osti_1289280,
title = {Materials Data on Tb2Nb2O7 by 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}
}