U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YO2F by Materials Project
Abstract
YO2F crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to seven O and two F atoms. There are a spread of Y–O bond distances ranging from 2.30–2.46 Å. There are one shorter (2.30 Å) and one longer (2.37 Å) Y–F bond lengths. In the second Y site, Y is bonded in a 9-coordinate geometry to five O and four F atoms. There are a spread of Y–O bond distances ranging from 2.25–2.56 Å. All Y–F bond lengths are 2.37 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Y atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to three Y atoms. There are two inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms.more »
- Publication Date:
- Other Number(s):
- mp-1215963
- 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-Y; YO2F; crystal structure
- OSTI Identifier:
- 1732140
- DOI:
- https://doi.org/10.17188/1732140
Citation Formats
Materials Data on YO2F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732140.
Materials Data on YO2F by Materials Project. United States. doi:https://doi.org/10.17188/1732140
2020.
"Materials Data on YO2F by Materials Project". United States. doi:https://doi.org/10.17188/1732140. https://www.osti.gov/servlets/purl/1732140. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1732140,
title = {Materials Data on YO2F by Materials Project},
abstractNote = {YO2F crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to seven O and two F atoms. There are a spread of Y–O bond distances ranging from 2.30–2.46 Å. There are one shorter (2.30 Å) and one longer (2.37 Å) Y–F bond lengths. In the second Y site, Y is bonded in a 9-coordinate geometry to five O and four F atoms. There are a spread of Y–O bond distances ranging from 2.25–2.56 Å. All Y–F bond lengths are 2.37 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Y atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to three Y atoms. There are two inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms. In the second F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms.},
doi = {10.17188/1732140},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}