U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VZnF4 by Materials Project
Abstract
VZnF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. 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 four equivalent VF6 octahedra and corners with six equivalent ZnF5 square pyramids. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of V–F bond distances ranging from 2.08–2.20 Å. In the second V2+ site, V2+ is bonded to six F1- atoms to form VF6 octahedra that share corners with four equivalent VF6 octahedra, corners with four equivalent ZnF5 square pyramids, and edges with two equivalent ZnF5 square pyramids. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of V–F bond distances ranging from 2.10–2.17 Å. Zn2+ is bonded to five F1- atoms to form ZnF5 square pyramids that share corners with five VF6 octahedra, an edgeedge with one VF6 octahedra, and an edgeedge with one ZnF5 square pyramid. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Zn–F bond distances ranging from 1.91–2.11 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120more »
- Publication Date:
- Other Number(s):
- mvc-3525
- 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-V-Zn; VZnF4; crystal structure
- OSTI Identifier:
- 1320615
- DOI:
- https://doi.org/10.17188/1320615
Citation Formats
Materials Data on VZnF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320615.
Materials Data on VZnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1320615
2020.
"Materials Data on VZnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1320615. https://www.osti.gov/servlets/purl/1320615. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1320615,
title = {Materials Data on VZnF4 by Materials Project},
abstractNote = {VZnF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. 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 four equivalent VF6 octahedra and corners with six equivalent ZnF5 square pyramids. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of V–F bond distances ranging from 2.08–2.20 Å. In the second V2+ site, V2+ is bonded to six F1- atoms to form VF6 octahedra that share corners with four equivalent VF6 octahedra, corners with four equivalent ZnF5 square pyramids, and edges with two equivalent ZnF5 square pyramids. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of V–F bond distances ranging from 2.10–2.17 Å. Zn2+ is bonded to five F1- atoms to form ZnF5 square pyramids that share corners with five VF6 octahedra, an edgeedge with one VF6 octahedra, and an edgeedge with one ZnF5 square pyramid. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Zn–F bond distances ranging from 1.91–2.11 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one V2+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two V2+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two V2+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one V2+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1320615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}