U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiV2F9 by Materials Project
Abstract
LiV2F9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six VF6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Li–F bond distances ranging from 2.05–2.14 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six VF6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of Li–F bond distances ranging from 2.05–2.14 Å. There are four inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with three equivalent LiF6 octahedra and a faceface with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of V–F bond distances ranging from 1.80–2.00 Å. In the second V4+ site, V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with three equivalent LiF6 octahedra and a faceface with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-767723
- 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; LiV2F9; F-Li-V
- OSTI Identifier:
- 1297830
- DOI:
- https://doi.org/10.17188/1297830
Citation Formats
The Materials Project. Materials Data on LiV2F9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297830.
The Materials Project. Materials Data on LiV2F9 by Materials Project. United States. doi:https://doi.org/10.17188/1297830
The Materials Project. 2020.
"Materials Data on LiV2F9 by Materials Project". United States. doi:https://doi.org/10.17188/1297830. https://www.osti.gov/servlets/purl/1297830. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1297830,
title = {Materials Data on LiV2F9 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV2F9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six VF6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Li–F bond distances ranging from 2.05–2.14 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six VF6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of Li–F bond distances ranging from 2.05–2.14 Å. There are four inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with three equivalent LiF6 octahedra and a faceface with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of V–F bond distances ranging from 1.80–2.00 Å. In the second V4+ site, V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with three equivalent LiF6 octahedra and a faceface with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of V–F bond distances ranging from 1.80–2.00 Å. In the third V4+ site, V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with three equivalent LiF6 octahedra and a faceface with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of V–F bond distances ranging from 1.80–2.00 Å. In the fourth V4+ site, V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with three equivalent LiF6 octahedra and a faceface with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of V–F bond distances ranging from 1.81–2.00 Å. There are eighteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the fifth F1- site, F1- is bonded in an L-shaped geometry to two V4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V4+ atom. In the ninth F1- site, F1- is bonded in an L-shaped geometry to two V4+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the eleventh F1- site, F1- is bonded in an L-shaped geometry to two V4+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the thirteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V4+ atom. In the fourteenth F1- site, F1- is bonded in an L-shaped geometry to two V4+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the sixteenth F1- site, F1- is bonded in an L-shaped geometry to two V4+ atoms. In the seventeenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V4+ atom. In the eighteenth F1- site, F1- is bonded in an L-shaped geometry to two V4+ atoms.},
doi = {10.17188/1297830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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