U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgVF4 by Materials Project
Abstract
MgVF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg2+ is bonded to six F1- atoms to form distorted MgF6 octahedra that share corners with four equivalent VF6 octahedra and edges with two equivalent MgF6 octahedra. The corner-sharing octahedra tilt angles range from 52–63°. There are a spread of Mg–F bond distances ranging from 1.91–2.18 Å. There are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six F1- atoms to form VF6 octahedra that share corners with eight equivalent MgF6 octahedra. The corner-sharing octahedra tilt angles range from 52–63°. There are a spread of V–F bond distances ranging from 2.05–2.28 Å. In the second V2+ site, V2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 2.05–2.29 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Mg2+ and two V2+ atoms to form a mixture of distorted corner and edge-sharing FMg2V2 tetrahedra. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Mg2+ and one V2+ atom. In the third F1- site, F1- is bonded inmore »
- Publication Date:
- Other Number(s):
- mvc-3716
- 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-Mg-V; MgVF4; crystal structure
- OSTI Identifier:
- 1320673
- DOI:
- https://doi.org/10.17188/1320673
Citation Formats
Materials Data on MgVF4 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1320673.
Materials Data on MgVF4 by Materials Project. United States. doi:https://doi.org/10.17188/1320673
2014.
"Materials Data on MgVF4 by Materials Project". United States. doi:https://doi.org/10.17188/1320673. https://www.osti.gov/servlets/purl/1320673. Pub date:Tue Sep 30 04:00:00 UTC 2014
@article{osti_1320673,
title = {Materials Data on MgVF4 by Materials Project},
abstractNote = {MgVF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg2+ is bonded to six F1- atoms to form distorted MgF6 octahedra that share corners with four equivalent VF6 octahedra and edges with two equivalent MgF6 octahedra. The corner-sharing octahedra tilt angles range from 52–63°. There are a spread of Mg–F bond distances ranging from 1.91–2.18 Å. There are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to six F1- atoms to form VF6 octahedra that share corners with eight equivalent MgF6 octahedra. The corner-sharing octahedra tilt angles range from 52–63°. There are a spread of V–F bond distances ranging from 2.05–2.28 Å. In the second V2+ site, V2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 2.05–2.29 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Mg2+ and two V2+ atoms to form a mixture of distorted corner and edge-sharing FMg2V2 tetrahedra. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Mg2+ and one V2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg2+ and one V2+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Mg2+ and two V2+ atoms.},
doi = {10.17188/1320673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {9}
}