U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlV2SbO8 by Materials Project
Abstract
V2TlSbO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–38°. There are a spread of V–O bond distances ranging from 1.63–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–39°. There are a spread of V–O bond distances ranging from 1.64–1.81 Å. Tl1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.80–3.37 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six VO4 tetrahedra. There is one shorter (1.99 Å) and five longer (2.00 Å) Sb–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, two equivalent Tl1+, and one Sb5+ atom. In the second O2- site, O2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-622278
- 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-Sb-Tl-V; TlV2SbO8
- OSTI Identifier:
- 1278120
- DOI:
- https://doi.org/10.17188/1278120
Citation Formats
Materials Data on TlV2SbO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278120.
Materials Data on TlV2SbO8 by Materials Project. United States. doi:https://doi.org/10.17188/1278120
2020.
"Materials Data on TlV2SbO8 by Materials Project". United States. doi:https://doi.org/10.17188/1278120. https://www.osti.gov/servlets/purl/1278120. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1278120,
title = {Materials Data on TlV2SbO8 by Materials Project},
abstractNote = {V2TlSbO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–38°. There are a spread of V–O bond distances ranging from 1.63–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–39°. There are a spread of V–O bond distances ranging from 1.64–1.81 Å. Tl1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.80–3.37 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six VO4 tetrahedra. There is one shorter (1.99 Å) and five longer (2.00 Å) Sb–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, two equivalent Tl1+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ and two equivalent Tl1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Tl1+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+, two equivalent Tl1+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Tl1+ atom.},
doi = {10.17188/1278120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}