U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaTeO4 by Materials Project
Abstract
BaTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.23 Å. Te6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Te6+ atom.
- Publication Date:
- Other Number(s):
- mp-1191752
- 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-O-Te; BaTeO4; crystal structure
- OSTI Identifier:
- 1674487
- DOI:
- https://doi.org/10.17188/1674487
Citation Formats
Materials Data on BaTeO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674487.
Materials Data on BaTeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1674487
2019.
"Materials Data on BaTeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1674487. https://www.osti.gov/servlets/purl/1674487. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1674487,
title = {Materials Data on BaTeO4 by Materials Project},
abstractNote = {BaTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.23 Å. Te6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Te6+ atom.},
doi = {10.17188/1674487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}