U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta4O by Materials Project
Abstract
Ta4O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a square co-planar geometry to four equivalent O atoms. All Ta–O bond lengths are 2.30 Å. In the second Ta site, Ta is bonded in a single-bond geometry to four equivalent Ta and one O atom. All Ta–Ta bond lengths are 2.81 Å. The Ta–O bond length is 2.10 Å. In the third Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. O is bonded to six Ta atoms to form a mixture of edge and corner-sharing OTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-29727
- 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-Ta; Ta4O; crystal structure
- OSTI Identifier:
- 1204199
- DOI:
- https://doi.org/10.17188/1204199
Citation Formats
Materials Data on Ta4O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204199.
Materials Data on Ta4O by Materials Project. United States. doi:https://doi.org/10.17188/1204199
2020.
"Materials Data on Ta4O by Materials Project". United States. doi:https://doi.org/10.17188/1204199. https://www.osti.gov/servlets/purl/1204199. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1204199,
title = {Materials Data on Ta4O by Materials Project},
abstractNote = {Ta4O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a square co-planar geometry to four equivalent O atoms. All Ta–O bond lengths are 2.30 Å. In the second Ta site, Ta is bonded in a single-bond geometry to four equivalent Ta and one O atom. All Ta–Ta bond lengths are 2.81 Å. The Ta–O bond length is 2.10 Å. In the third Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. O is bonded to six Ta atoms to form a mixture of edge and corner-sharing OTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1204199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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