U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TaInO3 by Materials Project
Abstract
TaInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent InO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. In1+ is bonded to twelve equivalent O2- atoms to form InO12 cuboctahedra that share corners with twelve equivalent InO12 cuboctahedra, faces with six equivalent InO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All In–O bond lengths are 2.88 Å. O2- is bonded in a linear geometry to two equivalent Ta5+ and four equivalent In1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1187260
- 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; In-O-Ta; TaInO3; crystal structure
- OSTI Identifier:
- 1685985
- DOI:
- https://doi.org/10.17188/1685985
Citation Formats
Materials Data on TaInO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685985.
Materials Data on TaInO3 by Materials Project. United States. doi:https://doi.org/10.17188/1685985
2020.
"Materials Data on TaInO3 by Materials Project". United States. doi:https://doi.org/10.17188/1685985. https://www.osti.gov/servlets/purl/1685985. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1685985,
title = {Materials Data on TaInO3 by Materials Project},
abstractNote = {TaInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent InO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. In1+ is bonded to twelve equivalent O2- atoms to form InO12 cuboctahedra that share corners with twelve equivalent InO12 cuboctahedra, faces with six equivalent InO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All In–O bond lengths are 2.88 Å. O2- is bonded in a linear geometry to two equivalent Ta5+ and four equivalent In1+ atoms.},
doi = {10.17188/1685985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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