U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TaBeO3 by Materials Project
Abstract
BeTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent TaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.71 Å. Ta4+ is bonded to twelve equivalent O2- atoms to form TaO12 cuboctahedra that share corners with twelve equivalent TaO12 cuboctahedra, faces with six equivalent TaO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ta–O bond lengths are 2.42 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Ta4+ atoms.
- Publication Date:
- Other Number(s):
- mp-972222
- 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; Be-O-Ta; TaBeO3; crystal structure
- OSTI Identifier:
- 1313783
- DOI:
- https://doi.org/10.17188/1313783
Citation Formats
Materials Data on TaBeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313783.
Materials Data on TaBeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1313783
2020.
"Materials Data on TaBeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1313783. https://www.osti.gov/servlets/purl/1313783. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1313783,
title = {Materials Data on TaBeO3 by Materials Project},
abstractNote = {BeTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent TaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.71 Å. Ta4+ is bonded to twelve equivalent O2- atoms to form TaO12 cuboctahedra that share corners with twelve equivalent TaO12 cuboctahedra, faces with six equivalent TaO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ta–O bond lengths are 2.42 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Ta4+ atoms.},
doi = {10.17188/1313783},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}