U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on W5(O2F11)2 by Materials Project
Abstract
W5(O2F11)2 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four W5(O2F11)2 clusters. there are two inequivalent W6+ sites. In the first 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 32°. The W–O bond length is 1.91 Å. There is three shorter (1.88 Å) and two longer (1.89 Å) W–F bond length. In the second W6+ site, W6+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedral tilt angles are 32°. All W–O bond lengths are 1.93 Å. Both W–F bond lengths are 1.89 Å. O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. There are six 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 themore »
- Publication Date:
- Other Number(s):
- mp-1101179
- 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; W5(O2F11)2; crystal structure
- OSTI Identifier:
- 1700147
- DOI:
- https://doi.org/10.17188/1700147
Citation Formats
Materials Data on W5(O2F11)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700147.
Materials Data on W5(O2F11)2 by Materials Project. United States. doi:https://doi.org/10.17188/1700147
2020.
"Materials Data on W5(O2F11)2 by Materials Project". United States. doi:https://doi.org/10.17188/1700147. https://www.osti.gov/servlets/purl/1700147. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1700147,
title = {Materials Data on W5(O2F11)2 by Materials Project},
abstractNote = {W5(O2F11)2 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four W5(O2F11)2 clusters. there are two inequivalent W6+ sites. In the first 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 32°. The W–O bond length is 1.91 Å. There is three shorter (1.88 Å) and two longer (1.89 Å) W–F bond length. In the second W6+ site, W6+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing WO4F2 octahedra. The corner-sharing octahedral tilt angles are 32°. All W–O bond lengths are 1.93 Å. Both W–F bond lengths are 1.89 Å. O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. There are six 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. In the sixth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom.},
doi = {10.17188/1700147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}