U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmTaO4 by Materials Project
Abstract
TmTaO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.19–2.87 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 40–49°. There are a spread of Ta–O bond distances ranging from 1.93–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Tm3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Tm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ta5+ atom.
- Publication Date:
- Other Number(s):
- mp-756898
- 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; O-Ta-Tm; TmTaO4; crystal structure
- OSTI Identifier:
- 1290655
- DOI:
- https://doi.org/10.17188/1290655
Citation Formats
Materials Data on TmTaO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290655.
Materials Data on TmTaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290655
2020.
"Materials Data on TmTaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290655. https://www.osti.gov/servlets/purl/1290655. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290655,
title = {Materials Data on TmTaO4 by Materials Project},
abstractNote = {TmTaO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.19–2.87 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 40–49°. There are a spread of Ta–O bond distances ranging from 1.93–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Tm3+ and two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Tm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ta5+ atom.},
doi = {10.17188/1290655},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}