U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl(WO3)6 by Materials Project
Abstract
Tl(WO3)6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. W+5.83+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and edges with two equivalent TlO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–29°. There is four shorter (1.93 Å) and two longer (1.96 Å) W–O bond length. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share edges with twelve equivalent WO6 octahedra. All Tl–O bond lengths are 3.37 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.83+ and one Tl1+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms.
- Publication Date:
- Other Number(s):
- mp-33436
- 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-Tl-W; Tl(WO3)6; crystal structure
- OSTI Identifier:
- 1206578
- DOI:
- https://doi.org/10.17188/1206578
Citation Formats
Materials Data on Tl(WO3)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206578.
Materials Data on Tl(WO3)6 by Materials Project. United States. doi:https://doi.org/10.17188/1206578
2020.
"Materials Data on Tl(WO3)6 by Materials Project". United States. doi:https://doi.org/10.17188/1206578. https://www.osti.gov/servlets/purl/1206578. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206578,
title = {Materials Data on Tl(WO3)6 by Materials Project},
abstractNote = {Tl(WO3)6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. W+5.83+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and edges with two equivalent TlO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–29°. There is four shorter (1.93 Å) and two longer (1.96 Å) W–O bond length. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share edges with twelve equivalent WO6 octahedra. All Tl–O bond lengths are 3.37 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.83+ and one Tl1+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms.},
doi = {10.17188/1206578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}