U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3V(H6O5)2 by Materials Project
Abstract
Li3V(H6O5)2 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.01–2.04 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. All V–O bond lengths are 1.75 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.68 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1193122
- 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; Li3V(H6O5)2; H-Li-O-V
- OSTI Identifier:
- 1686889
- DOI:
- https://doi.org/10.17188/1686889
Citation Formats
The Materials Project. Materials Data on Li3V(H6O5)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1686889.
The Materials Project. Materials Data on Li3V(H6O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1686889
The Materials Project. 2019.
"Materials Data on Li3V(H6O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1686889. https://www.osti.gov/servlets/purl/1686889. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1686889,
title = {Materials Data on Li3V(H6O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3V(H6O5)2 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.01–2.04 Å. V5+ is bonded in a tetrahedral geometry to four O2- atoms. All V–O bond lengths are 1.75 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.63 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.68 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one V5+ and three H1+ atoms. In the second O2- site, O2- is bonded to one V5+ and three equivalent H1+ atoms to form distorted corner-sharing OVH3 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Li1+ and two H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Li1+ and two H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra.},
doi = {10.17188/1686889},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}