Materials Data on TbBO3 by Materials Project
Abstract
TbBO3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to six O2- atoms. There are a spread of Tb–O bond distances ranging from 2.25–2.40 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. There are four 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 1-coordinate geometry to two equivalent Tb3+ and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one B3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217607
- 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; TbBO3; B-O-Tb
- OSTI Identifier:
- 1717129
- DOI:
- https://doi.org/10.17188/1717129
Citation Formats
The Materials Project. Materials Data on TbBO3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1717129.
The Materials Project. Materials Data on TbBO3 by Materials Project. United States. doi:https://doi.org/10.17188/1717129
The Materials Project. 2019.
"Materials Data on TbBO3 by Materials Project". United States. doi:https://doi.org/10.17188/1717129. https://www.osti.gov/servlets/purl/1717129. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717129,
title = {Materials Data on TbBO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TbBO3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to six O2- atoms. There are a spread of Tb–O bond distances ranging from 2.25–2.40 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.40 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. There are four 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 1-coordinate geometry to two equivalent Tb3+ and one B3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one B3+ atom.},
doi = {10.17188/1717129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}