U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaTa2O6 by Materials Project
Abstract
CaTa2O6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra and faces with eight equivalent TaO6 octahedra. All Ca–O bond lengths are 2.80 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with four equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to two equivalent Ca2+ and two equivalent Ta5+ atoms.
- Publication Date:
- Other Number(s):
- mp-38843
- 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; Ca-O-Ta; CaTa2O6; crystal structure
- OSTI Identifier:
- 1207573
- DOI:
- https://doi.org/10.17188/1207573
Citation Formats
Materials Data on CaTa2O6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207573.
Materials Data on CaTa2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1207573
2020.
"Materials Data on CaTa2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1207573. https://www.osti.gov/servlets/purl/1207573. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207573,
title = {Materials Data on CaTa2O6 by Materials Project},
abstractNote = {CaTa2O6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra and faces with eight equivalent TaO6 octahedra. All Ca–O bond lengths are 2.80 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with four equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to two equivalent Ca2+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1207573},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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