Materials Data on Yb(BO2)3 by Materials Project
Abstract
Yb(BO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.85 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.48 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Yb3+ and one B3+ atom.
- Authors:
- Contributors:
-
Researcher:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1291680
- Report Number(s):
- mp-760657
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Yb(BO2)3; B-O-Yb
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on Yb(BO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291680.
Persson, Kristin, & Project, Materials. Materials Data on Yb(BO2)3 by Materials Project. United States. https://doi.org/10.17188/1291680
Persson, Kristin, and Project, Materials. Fri .
"Materials Data on Yb(BO2)3 by Materials Project". United States. https://doi.org/10.17188/1291680. https://www.osti.gov/servlets/purl/1291680.
@article{osti_1291680,
title = {Materials Data on Yb(BO2)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb(BO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.85 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.48 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Yb3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Yb3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Yb3+ and one B3+ atom.},
doi = {10.17188/1291680},
url = {https://www.osti.gov/biblio/1291680},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}