U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on WF5 by Materials Project
Abstract
WF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two WF5 ribbons oriented in the (0, 0, 1) direction. W5+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of W–F bond distances ranging from 1.88–2.06 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent W5+ atoms.
- Publication Date:
- Other Number(s):
- mvc-3816
- 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; crystal structure; F-W; WF5
- OSTI Identifier:
- 1320735
- DOI:
- https://doi.org/10.17188/1320735
Citation Formats
Materials Data on WF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320735.
Materials Data on WF5 by Materials Project. United States. doi:https://doi.org/10.17188/1320735
2020.
"Materials Data on WF5 by Materials Project". United States. doi:https://doi.org/10.17188/1320735. https://www.osti.gov/servlets/purl/1320735. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1320735,
title = {Materials Data on WF5 by Materials Project},
abstractNote = {WF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two WF5 ribbons oriented in the (0, 0, 1) direction. W5+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of W–F bond distances ranging from 1.88–2.06 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent W5+ atoms.},
doi = {10.17188/1320735},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}