U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmO3 by Materials Project
Abstract
TmO3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to fourteen O atoms. There are eight shorter (2.39 Å) and six longer (2.76 Å) Tm–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Tm atoms to form OTm4 tetrahedra that share corners with twelve equivalent OTm6 octahedra, corners with sixteen equivalent OTm4 tetrahedra, edges with six equivalent OTm4 tetrahedra, and faces with four equivalent OTm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second O site, O is bonded to six equivalent Tm atoms to form OTm6 octahedra that share corners with six equivalent OTm6 octahedra, corners with twenty-four equivalent OTm4 tetrahedra, edges with twelve equivalent OTm6 octahedra, and faces with eight equivalent OTm4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-979074
- 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-Tm; TmO3; crystal structure
- OSTI Identifier:
- 1316087
- DOI:
- https://doi.org/10.17188/1316087
Citation Formats
Materials Data on TmO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316087.
Materials Data on TmO3 by Materials Project. United States. doi:https://doi.org/10.17188/1316087
2020.
"Materials Data on TmO3 by Materials Project". United States. doi:https://doi.org/10.17188/1316087. https://www.osti.gov/servlets/purl/1316087. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1316087,
title = {Materials Data on TmO3 by Materials Project},
abstractNote = {TmO3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to fourteen O atoms. There are eight shorter (2.39 Å) and six longer (2.76 Å) Tm–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Tm atoms to form OTm4 tetrahedra that share corners with twelve equivalent OTm6 octahedra, corners with sixteen equivalent OTm4 tetrahedra, edges with six equivalent OTm4 tetrahedra, and faces with four equivalent OTm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second O site, O is bonded to six equivalent Tm atoms to form OTm6 octahedra that share corners with six equivalent OTm6 octahedra, corners with twenty-four equivalent OTm4 tetrahedra, edges with twelve equivalent OTm6 octahedra, and faces with eight equivalent OTm4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1316087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}