U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl4V2O7 by Materials Project
Abstract
V2Tl4O7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.83 Å) V–O bond length. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.88 Å) and six longer (3.21 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.
- Publication Date:
- Other Number(s):
- mp-541368
- 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-V; Tl4V2O7; crystal structure
- OSTI Identifier:
- 1265075
- DOI:
- https://doi.org/10.17188/1265075
Citation Formats
Materials Data on Tl4V2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1265075.
Materials Data on Tl4V2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1265075
2020.
"Materials Data on Tl4V2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1265075. https://www.osti.gov/servlets/purl/1265075. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1265075,
title = {Materials Data on Tl4V2O7 by Materials Project},
abstractNote = {V2Tl4O7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is three shorter (1.73 Å) and one longer (1.83 Å) V–O bond length. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.88 Å) and six longer (3.21 Å) Tl–O bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and four Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms.},
doi = {10.17188/1265075},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}