U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li4VAs2O9 by Materials Project
Abstract
Li4VO(AsO4)2 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.66 Å. V4+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent AsO4 tetrahedra. There is one shorter (1.63 Å) and four longer (2.02 Å) V–O bond length. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent VO5 trigonal bipyramids. There is two shorter (1.70 Å) and two longer (1.75 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, one V4+, and one As5+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Li1+ and one As5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1177164
- 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; Li4VAs2O9; As-Li-O-V
- OSTI Identifier:
- 1708012
- DOI:
- https://doi.org/10.17188/1708012
Citation Formats
The Materials Project. Materials Data on Li4VAs2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708012.
The Materials Project. Materials Data on Li4VAs2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1708012
The Materials Project. 2020.
"Materials Data on Li4VAs2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1708012. https://www.osti.gov/servlets/purl/1708012. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708012,
title = {Materials Data on Li4VAs2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4VO(AsO4)2 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.66 Å. V4+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent AsO4 tetrahedra. There is one shorter (1.63 Å) and four longer (2.02 Å) V–O bond length. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent VO5 trigonal bipyramids. There is two shorter (1.70 Å) and two longer (1.75 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, one V4+, and one As5+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to three equivalent Li1+ and one As5+ atom.},
doi = {10.17188/1708012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}