U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on W7(OF5)6 by Materials Project
Abstract
W7(OF5)6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three W7(OF5)6 clusters. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six equivalent O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 30°. All W–O bond lengths are 1.94 Å. In the second W6+ site, W6+ is bonded to one O2- and five F1- atoms to form corner-sharing WOF5 octahedra. The corner-sharing octahedral tilt angles are 30°. The W–O bond length is 1.92 Å. There is three shorter (1.88 Å) and two longer (1.89 Å) W–F bond length. O2- is bonded in a bent 150 degrees 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 inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764257
- 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; W7(OF5)6; F-O-W
- OSTI Identifier:
- 1294652
- DOI:
- https://doi.org/10.17188/1294652
Citation Formats
The Materials Project. Materials Data on W7(OF5)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1294652.
The Materials Project. Materials Data on W7(OF5)6 by Materials Project. United States. doi:https://doi.org/10.17188/1294652
The Materials Project. 2020.
"Materials Data on W7(OF5)6 by Materials Project". United States. doi:https://doi.org/10.17188/1294652. https://www.osti.gov/servlets/purl/1294652. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1294652,
title = {Materials Data on W7(OF5)6 by Materials Project},
author = {The Materials Project},
abstractNote = {W7(OF5)6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three W7(OF5)6 clusters. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six equivalent O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 30°. All W–O bond lengths are 1.94 Å. In the second W6+ site, W6+ is bonded to one O2- and five F1- atoms to form corner-sharing WOF5 octahedra. The corner-sharing octahedral tilt angles are 30°. The W–O bond length is 1.92 Å. There is three shorter (1.88 Å) and two longer (1.89 Å) W–F bond length. O2- is bonded in a bent 150 degrees 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 = {10.17188/1294652},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}