U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbZr4O10 by Materials Project
Abstract
TbZr4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Tb–O bond lengths are 2.33 Å. Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.22–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Tb4+ and three equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OTbZr3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-754182
- 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; O-Tb-Zr; TbZr4O10; crystal structure
- OSTI Identifier:
- 1289284
- DOI:
- https://doi.org/10.17188/1289284
Citation Formats
Materials Data on TbZr4O10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289284.
Materials Data on TbZr4O10 by Materials Project. United States. doi:https://doi.org/10.17188/1289284
2020.
"Materials Data on TbZr4O10 by Materials Project". United States. doi:https://doi.org/10.17188/1289284. https://www.osti.gov/servlets/purl/1289284. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1289284,
title = {Materials Data on TbZr4O10 by Materials Project},
abstractNote = {TbZr4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Tb–O bond lengths are 2.33 Å. Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.22–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Tb4+ and three equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OTbZr3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra.},
doi = {10.17188/1289284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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