U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2V3O8 by Materials Project
Abstract
Cs2V3O8 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.74 Å. There are two inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.67–1.83 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.65 Å) and four longer (2.00 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent V+4.67+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one V+4.67+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one V+4.67+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192739
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cs2V3O8; Cs-O-V
- OSTI Identifier:
- 1662873
- DOI:
- https://doi.org/10.17188/1662873
Citation Formats
The Materials Project. Materials Data on Cs2V3O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662873.
The Materials Project. Materials Data on Cs2V3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1662873
The Materials Project. 2020.
"Materials Data on Cs2V3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1662873. https://www.osti.gov/servlets/purl/1662873. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1662873,
title = {Materials Data on Cs2V3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2V3O8 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.74 Å. There are two inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.67–1.83 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.65 Å) and four longer (2.00 Å) V–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent V+4.67+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one V+4.67+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+ and two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one V+4.67+ atom.},
doi = {10.17188/1662873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}