U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on WOF4 by Materials Project
Abstract
WOF4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two WOF4 clusters. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing WO2F4 octahedra. The corner-sharing octahedral tilt angles are 1°. Both W–O bond lengths are 1.92 Å. There is three shorter (1.88 Å) and one longer (1.89 Å) W–F bond length. In the second W6+ site, W6+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing WO2F4 octahedra. The corner-sharing octahedral tilt angles are 1°. Both W–O bond lengths are 1.92 Å. All W–F bond lengths are 1.89 Å. O2- is bonded in a linear geometry to two W6+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fifth F1-more »
- Publication Date:
- Other Number(s):
- mp-540636
- 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-O-W; WOF4; crystal structure
- OSTI Identifier:
- 1264496
- DOI:
- https://doi.org/10.17188/1264496
Citation Formats
Materials Data on WOF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264496.
Materials Data on WOF4 by Materials Project. United States. doi:https://doi.org/10.17188/1264496
2020.
"Materials Data on WOF4 by Materials Project". United States. doi:https://doi.org/10.17188/1264496. https://www.osti.gov/servlets/purl/1264496. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1264496,
title = {Materials Data on WOF4 by Materials Project},
abstractNote = {WOF4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two WOF4 clusters. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing WO2F4 octahedra. The corner-sharing octahedral tilt angles are 1°. Both W–O bond lengths are 1.92 Å. There is three shorter (1.88 Å) and one longer (1.89 Å) W–F bond length. In the second W6+ site, W6+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing WO2F4 octahedra. The corner-sharing octahedral tilt angles are 1°. Both W–O bond lengths are 1.92 Å. All W–F bond lengths are 1.89 Å. O2- is bonded in a linear geometry to two W6+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom.},
doi = {10.17188/1264496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}