Materials Data on Tb(BO2)3 by Materials Project
Abstract
Tb(BO2)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.37–2.44 Å. There are three inequivalent B3+ sites. In the first 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 1.34–1.41 Å. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.47 Å) and two longer (1.48 Å) B–O bond length. In the third 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 1.34–1.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms. In the fourth O2- site, O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-559434
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Tb(BO2)3; B-O-Tb
- OSTI Identifier:
- 1270859
- DOI:
- https://doi.org/10.17188/1270859
Citation Formats
The Materials Project. Materials Data on Tb(BO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270859.
The Materials Project. Materials Data on Tb(BO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270859
The Materials Project. 2020.
"Materials Data on Tb(BO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270859. https://www.osti.gov/servlets/purl/1270859. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1270859,
title = {Materials Data on Tb(BO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb(BO2)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.37–2.44 Å. There are three inequivalent B3+ sites. In the first 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 1.34–1.41 Å. In the second B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.47 Å) and two longer (1.48 Å) B–O bond length. In the third 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 1.34–1.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb3+ and one B3+ atom.},
doi = {10.17188/1270859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}