U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmGa3Ru by Materials Project
Abstract
TmRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Tm–Ru bond lengths are 3.20 Å. There are eight shorter (2.93 Å) and two longer (3.20 Å) Tm–Ga bond lengths. Ru is bonded to four equivalent Tm and eight equivalent Ga atoms to form distorted RuTm4Ga8 cuboctahedra that share corners with four equivalent RuTm4Ga8 cuboctahedra, edges with four equivalent GaTm6 octahedra, and faces with eight equivalent RuTm4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tm atoms to form GaTm6 octahedra that share corners with six equivalent GaTm6 octahedra and edges with twelve equivalent RuTm4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Tm and three equivalent Ru atoms.
- Publication Date:
- Other Number(s):
- mp-17424
- 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; Ga-Ru-Tm; TmGa3Ru; crystal structure
- OSTI Identifier:
- 1192500
- DOI:
- https://doi.org/10.17188/1192500
Citation Formats
Materials Data on TmGa3Ru by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192500.
Materials Data on TmGa3Ru by Materials Project. United States. doi:https://doi.org/10.17188/1192500
2020.
"Materials Data on TmGa3Ru by Materials Project". United States. doi:https://doi.org/10.17188/1192500. https://www.osti.gov/servlets/purl/1192500. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192500,
title = {Materials Data on TmGa3Ru by Materials Project},
abstractNote = {TmRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Tm–Ru bond lengths are 3.20 Å. There are eight shorter (2.93 Å) and two longer (3.20 Å) Tm–Ga bond lengths. Ru is bonded to four equivalent Tm and eight equivalent Ga atoms to form distorted RuTm4Ga8 cuboctahedra that share corners with four equivalent RuTm4Ga8 cuboctahedra, edges with four equivalent GaTm6 octahedra, and faces with eight equivalent RuTm4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tm atoms to form GaTm6 octahedra that share corners with six equivalent GaTm6 octahedra and edges with twelve equivalent RuTm4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Tm and three equivalent Ru atoms.},
doi = {10.17188/1192500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}