U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrOF4 by Materials Project
Abstract
ZrOF4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zr is bonded in a 8-coordinate geometry to two equivalent O and six F atoms. Both Zr–O bond lengths are 2.37 Å. There are a spread of Zr–F bond distances ranging from 1.95–2.22 Å. O is bonded in a linear geometry to two equivalent Zr atoms. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Zr atom. In the second F site, F is bonded in a linear geometry to two equivalent Zr atoms.
- Publication Date:
- Other Number(s):
- mp-1190734
- 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-Zr; ZrOF4; crystal structure
- OSTI Identifier:
- 1740787
- DOI:
- https://doi.org/10.17188/1740787
Citation Formats
Materials Data on ZrOF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740787.
Materials Data on ZrOF4 by Materials Project. United States. doi:https://doi.org/10.17188/1740787
2020.
"Materials Data on ZrOF4 by Materials Project". United States. doi:https://doi.org/10.17188/1740787. https://www.osti.gov/servlets/purl/1740787. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740787,
title = {Materials Data on ZrOF4 by Materials Project},
abstractNote = {ZrOF4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zr is bonded in a 8-coordinate geometry to two equivalent O and six F atoms. Both Zr–O bond lengths are 2.37 Å. There are a spread of Zr–F bond distances ranging from 1.95–2.22 Å. O is bonded in a linear geometry to two equivalent Zr atoms. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Zr atom. In the second F site, F is bonded in a linear geometry to two equivalent Zr atoms.},
doi = {10.17188/1740787},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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