U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmGa5Co by Materials Project
Abstract
TmCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Ga atoms to form TmGa12 cuboctahedra that share corners with four equivalent TmGa12 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with four equivalent GaTm4Ga8 cuboctahedra. There are eight shorter (2.97 Å) and four longer (2.98 Å) Tm–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–2.98 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. Both Ga–Ga bond lengths are 2.97 Å. In the third Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with four equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with four equivalent GaTm4Ga8 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1025257
- 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; Co-Ga-Tm; TmGa5Co; crystal structure
- OSTI Identifier:
- 1355326
- DOI:
- https://doi.org/10.17188/1355326
Citation Formats
Materials Data on TmGa5Co by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355326.
Materials Data on TmGa5Co by Materials Project. United States. doi:https://doi.org/10.17188/1355326
2020.
"Materials Data on TmGa5Co by Materials Project". United States. doi:https://doi.org/10.17188/1355326. https://www.osti.gov/servlets/purl/1355326. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1355326,
title = {Materials Data on TmGa5Co by Materials Project},
abstractNote = {TmCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Ga atoms to form TmGa12 cuboctahedra that share corners with four equivalent TmGa12 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with four equivalent GaTm4Ga8 cuboctahedra. There are eight shorter (2.97 Å) and four longer (2.98 Å) Tm–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–2.98 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. Both Ga–Ga bond lengths are 2.97 Å. In the third Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with four equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with four equivalent GaTm4Ga8 cuboctahedra.},
doi = {10.17188/1355326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}