Materials Data on BaTbO3 by Materials Project
Abstract
BaTbO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (3.15 Å) Ba–O bond lengths. Tb4+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–22°. All Tb–O bond lengths are 2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-548824
- 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; BaTbO3; Ba-O-Tb
- OSTI Identifier:
- 1267363
- DOI:
- https://doi.org/10.17188/1267363
Citation Formats
The Materials Project. Materials Data on BaTbO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267363.
The Materials Project. Materials Data on BaTbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1267363
The Materials Project. 2020.
"Materials Data on BaTbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1267363. https://www.osti.gov/servlets/purl/1267363. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267363,
title = {Materials Data on BaTbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaTbO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.73 Å) and six longer (3.15 Å) Ba–O bond lengths. Tb4+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–22°. All Tb–O bond lengths are 2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms.},
doi = {10.17188/1267363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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