U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2TbBiO6 by Materials Project
Abstract
Ba2TbBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.41 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. There are four shorter (2.25 Å) and two longer (2.26 Å) Tb–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent TbO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. All Bi–O bond lengths are 2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom.
- Publication Date:
- Other Number(s):
- mp-552191
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ba-Bi-O-Tb; Ba2TbBiO6; crystal structure
- OSTI Identifier:
- 1267563
- DOI:
- https://doi.org/10.17188/1267563
Citation Formats
Materials Data on Ba2TbBiO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267563.
Materials Data on Ba2TbBiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1267563
2020.
"Materials Data on Ba2TbBiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1267563. https://www.osti.gov/servlets/purl/1267563. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1267563,
title = {Materials Data on Ba2TbBiO6 by Materials Project},
abstractNote = {Ba2TbBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.41 Å. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. There are four shorter (2.25 Å) and two longer (2.26 Å) Tb–O bond lengths. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent TbO6 octahedra. The corner-sharing octahedra tilt angles range from 13–17°. All Bi–O bond lengths are 2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+, one Tb3+, and one Bi5+ atom.},
doi = {10.17188/1267563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}