U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbGa3(BO3)4 by Materials Project
Abstract
TbGa3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Tb3+ is bonded to six equivalent O2- atoms to form distorted TbO6 pentagonal pyramids that share corners with six equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Tb–O bond lengths are 2.35 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent TbO6 pentagonal pyramids and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.96–2.03 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ga3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one Ga3+, and one B3+ atom. In the third O2- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208326
- 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; TbGa3(BO3)4; B-Ga-O-Tb
- OSTI Identifier:
- 1696722
- DOI:
- https://doi.org/10.17188/1696722
Citation Formats
The Materials Project. Materials Data on TbGa3(BO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1696722.
The Materials Project. Materials Data on TbGa3(BO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1696722
The Materials Project. 2020.
"Materials Data on TbGa3(BO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1696722. https://www.osti.gov/servlets/purl/1696722. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1696722,
title = {Materials Data on TbGa3(BO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {TbGa3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Tb3+ is bonded to six equivalent O2- atoms to form distorted TbO6 pentagonal pyramids that share corners with six equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Tb–O bond lengths are 2.35 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent TbO6 pentagonal pyramids and edges with two equivalent GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.96–2.03 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ga3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one Ga3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ga3+ and one B3+ atom.},
doi = {10.17188/1696722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}