U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2V2F7 by Materials Project
Abstract
Li2V2F7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six VF6 octahedra and corners with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–62°. There are a spread of Li–F bond distances ranging from 1.87–1.99 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with five VF6 octahedra and corners with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Li–F bond distances ranging from 1.89–1.98 Å. There are two inequivalent V+2.50+ sites. In the first V+2.50+ site, V+2.50+ is bonded to six F1- atoms to form VF6 octahedra that share a cornercorner with one VF6 octahedra, corners with seven LiF4 tetrahedra, and edges with two equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of V–F bond distances ranging from 2.05–2.21 Å. In the second V+2.50+ site, V+2.50+ is bonded to six F1- atoms to form VF6 octahedra that share a cornercorner withmore »
- Publication Date:
- Other Number(s):
- mp-766139
- 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; F-Li-V; Li2V2F7; crystal structure
- OSTI Identifier:
- 1296565
- DOI:
- https://doi.org/10.17188/1296565
Citation Formats
Materials Data on Li2V2F7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1296565.
Materials Data on Li2V2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1296565
2020.
"Materials Data on Li2V2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1296565. https://www.osti.gov/servlets/purl/1296565. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1296565,
title = {Materials Data on Li2V2F7 by Materials Project},
abstractNote = {Li2V2F7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six VF6 octahedra and corners with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–62°. There are a spread of Li–F bond distances ranging from 1.87–1.99 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with five VF6 octahedra and corners with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Li–F bond distances ranging from 1.89–1.98 Å. There are two inequivalent V+2.50+ sites. In the first V+2.50+ site, V+2.50+ is bonded to six F1- atoms to form VF6 octahedra that share a cornercorner with one VF6 octahedra, corners with seven LiF4 tetrahedra, and edges with two equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of V–F bond distances ranging from 2.05–2.21 Å. In the second V+2.50+ site, V+2.50+ is bonded to six F1- atoms to form VF6 octahedra that share a cornercorner with one VF6 octahedra, corners with four LiF4 tetrahedra, and edges with three VF6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of V–F bond distances ranging from 1.88–2.09 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one V+2.50+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two V+2.50+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two V+2.50+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+2.50+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two V+2.50+ atoms. In the sixth F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one V+2.50+ atom. In the seventh F1- site, F1- is bonded in a distorted T-shaped geometry to three V+2.50+ atoms.},
doi = {10.17188/1296565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}