U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th2Ta6O19 by Materials Project
Abstract
Th2Ta6O19 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Th4+ is bonded to six equivalent O2- atoms to form distorted edge-sharing ThO6 octahedra. All Th–O bond lengths are 2.32 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.93–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Th4+ and one Ta5+ atom.
- Publication Date:
- Other Number(s):
- mp-9275
- 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-Th; Th2Ta6O19; crystal structure
- OSTI Identifier:
- 1313108
- DOI:
- https://doi.org/10.17188/1313108
Citation Formats
Materials Data on Th2Ta6O19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313108.
Materials Data on Th2Ta6O19 by Materials Project. United States. doi:https://doi.org/10.17188/1313108
2020.
"Materials Data on Th2Ta6O19 by Materials Project". United States. doi:https://doi.org/10.17188/1313108. https://www.osti.gov/servlets/purl/1313108. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1313108,
title = {Materials Data on Th2Ta6O19 by Materials Project},
abstractNote = {Th2Ta6O19 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Th4+ is bonded to six equivalent O2- atoms to form distorted edge-sharing ThO6 octahedra. All Th–O bond lengths are 2.32 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.93–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Th4+ and one Ta5+ atom.},
doi = {10.17188/1313108},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}