U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbSeO3F by Materials Project
Abstract
YbSeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Yb–O bond distances ranging from 2.39–2.62 Å. There are one shorter (2.22 Å) and one longer (2.25 Å) Yb–F bond lengths. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.69 Å) and one longer (1.70 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Yb3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one Se4+ atom. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ atoms.
- Publication Date:
- Other Number(s):
- mp-553963
- 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-O-Se-Yb; YbSeO3F
- OSTI Identifier:
- 1267662
- DOI:
- https://doi.org/10.17188/1267662
Citation Formats
Materials Data on YbSeO3F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267662.
Materials Data on YbSeO3F by Materials Project. United States. doi:https://doi.org/10.17188/1267662
2020.
"Materials Data on YbSeO3F by Materials Project". United States. doi:https://doi.org/10.17188/1267662. https://www.osti.gov/servlets/purl/1267662. Pub date:Fri Jul 17 20:00:00 EDT 2020
@article{osti_1267662,
title = {Materials Data on YbSeO3F by Materials Project},
abstractNote = {YbSeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Yb–O bond distances ranging from 2.39–2.62 Å. There are one shorter (2.22 Å) and one longer (2.25 Å) Yb–F bond lengths. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.69 Å) and one longer (1.70 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Yb3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb3+ and one Se4+ atom. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ atoms.},
doi = {10.17188/1267662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}