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Title: Materials Data on Tb(BO2)3 by Materials Project

Abstract

Tb(BO2)3 crystallizes in the monoclinic C2/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 2.40–2.43 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. All B–O bond lengths are 1.47 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb3+ and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-11112
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:
1187574
DOI:
https://doi.org/10.17188/1187574

Citation Formats

The Materials Project. Materials Data on Tb(BO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187574.
The Materials Project. Materials Data on Tb(BO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1187574
The Materials Project. 2020. "Materials Data on Tb(BO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1187574. https://www.osti.gov/servlets/purl/1187574. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187574,
title = {Materials Data on Tb(BO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb(BO2)3 crystallizes in the monoclinic C2/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 2.40–2.43 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a tetrahedral geometry to four O2- atoms. All B–O bond lengths are 1.47 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tb3+ and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two B3+ atoms.},
doi = {10.17188/1187574},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}