Materials Data on NaVF3 by Materials Project
Abstract
NaVF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.29–2.86 Å. V2+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are four shorter (2.12 Å) and two longer (2.13 Å) V–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent V2+ atoms to form distorted corner-sharing FNa2V2 trigonal pyramids. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent V2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1120756
- 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; NaVF3; F-Na-V
- OSTI Identifier:
- 1734092
- DOI:
- https://doi.org/10.17188/1734092
Citation Formats
The Materials Project. Materials Data on NaVF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1734092.
The Materials Project. Materials Data on NaVF3 by Materials Project. United States. doi:https://doi.org/10.17188/1734092
The Materials Project. 2020.
"Materials Data on NaVF3 by Materials Project". United States. doi:https://doi.org/10.17188/1734092. https://www.osti.gov/servlets/purl/1734092. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1734092,
title = {Materials Data on NaVF3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaVF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.29–2.86 Å. V2+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are four shorter (2.12 Å) and two longer (2.13 Å) V–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent V2+ atoms to form distorted corner-sharing FNa2V2 trigonal pyramids. In the second F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent V2+ atoms.},
doi = {10.17188/1734092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 09 00:00:00 EDT 2020},
month = {Sat May 09 00:00:00 EDT 2020}
}