Materials Data on LiTaO3 by Materials Project
Abstract
LiTaO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.08 Å) and three longer (2.31 Å) Li–O bond lengths. Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.93 Å) and three longer (2.09 Å) Ta–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Li1+ and two equivalent Ta5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-3666
- 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; LiTaO3; Li-O-Ta
- OSTI Identifier:
- 1207210
- DOI:
- https://doi.org/10.17188/1207210
Citation Formats
The Materials Project. Materials Data on LiTaO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207210.
The Materials Project. Materials Data on LiTaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1207210
The Materials Project. 2020.
"Materials Data on LiTaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1207210. https://www.osti.gov/servlets/purl/1207210. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207210,
title = {Materials Data on LiTaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTaO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.08 Å) and three longer (2.31 Å) Li–O bond lengths. Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.93 Å) and three longer (2.09 Å) Ta–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Li1+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1207210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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