U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiV2F7 by Materials Project
Abstract
LiV2F7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with five VF6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Li–F bond distances ranging from 1.90–2.01 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form distorted VF6 octahedra that share a cornercorner with one VF6 octahedra, corners with three equivalent LiF4 tetrahedra, and edges with two equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of V–F bond distances ranging from 1.86–2.20 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form VF6 octahedra that share a cornercorner with one VF6 octahedra, corners with two equivalent LiF4 tetrahedra, and edges with three VF6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of V–F bond distances ranging from 1.87–2.13 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V3+ atom. In the second F1-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-767706
- 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; LiV2F7; F-Li-V
- OSTI Identifier:
- 1297813
- DOI:
- https://doi.org/10.17188/1297813
Citation Formats
The Materials Project. Materials Data on LiV2F7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297813.
The Materials Project. Materials Data on LiV2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1297813
The Materials Project. 2020.
"Materials Data on LiV2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1297813. https://www.osti.gov/servlets/purl/1297813. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1297813,
title = {Materials Data on LiV2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV2F7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with five VF6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Li–F bond distances ranging from 1.90–2.01 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form distorted VF6 octahedra that share a cornercorner with one VF6 octahedra, corners with three equivalent LiF4 tetrahedra, and edges with two equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of V–F bond distances ranging from 1.86–2.20 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form VF6 octahedra that share a cornercorner with one VF6 octahedra, corners with two equivalent LiF4 tetrahedra, and edges with three VF6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of V–F bond distances ranging from 1.87–2.13 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V3+ atom. In the second F1- site, F1- is bonded in a water-like geometry to two V3+ atoms. In the third F1- site, F1- is bonded in a water-like geometry to two V3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V3+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two V3+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V3+ atom. In the seventh F1- site, F1- is bonded in a distorted T-shaped geometry to three V3+ atoms.},
doi = {10.17188/1297813},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}