U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaTaO4 by Materials Project
Abstract
LaTaO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.39–3.03 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 12–38°. There are a spread of Ta–O bond distances ranging from 1.93–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded to three equivalent La3+ and one Ta5+ atom to form distorted corner-sharing OLa3Ta tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Ta5+ atom.
- Publication Date:
- Other Number(s):
- mp-3998
- 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; crystal structure; La-O-Ta; LaTaO4
- OSTI Identifier:
- 1207715
- DOI:
- https://doi.org/10.17188/1207715
Citation Formats
Materials Data on LaTaO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207715.
Materials Data on LaTaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1207715
2020.
"Materials Data on LaTaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1207715. https://www.osti.gov/servlets/purl/1207715. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1207715,
title = {Materials Data on LaTaO4 by Materials Project},
abstractNote = {LaTaO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.39–3.03 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 12–38°. There are a spread of Ta–O bond distances ranging from 1.93–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one La3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded to three equivalent La3+ and one Ta5+ atom to form distorted corner-sharing OLa3Ta tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Ta5+ atom.},
doi = {10.17188/1207715},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}