U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th(TeO3)2 by Materials Project
Abstract
ThTe2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.31–2.65 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.89 Å) and two longer (1.92 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Th4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry tomore »
- Publication Date:
- Other Number(s):
- mp-541285
- 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; crystal structure; O-Te-Th; Th(TeO3)2
- OSTI Identifier:
- 1265026
- DOI:
- https://doi.org/10.17188/1265026
Citation Formats
Materials Data on Th(TeO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265026.
Materials Data on Th(TeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1265026
2020.
"Materials Data on Th(TeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1265026. https://www.osti.gov/servlets/purl/1265026. Pub date:Tue Jul 21 20:00:00 EDT 2020
@article{osti_1265026,
title = {Materials Data on Th(TeO3)2 by Materials Project},
abstractNote = {ThTe2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.31–2.65 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.89 Å) and two longer (1.92 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Th4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Th4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Th4+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Th4+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Th4+ and one Te4+ atom.},
doi = {10.17188/1265026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}