U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErGa5Co by Materials Project
Abstract
ErCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Ga atoms to form ErGa12 cuboctahedra that share corners with four equivalent ErGa12 cuboctahedra, faces with four equivalent ErGa12 cuboctahedra, and faces with four equivalent GaEr4Ga8 cuboctahedra. All Er–Ga bond lengths are 2.98 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Co, and seven Ga atoms. There are one shorter (2.59 Å) and six longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Er and eight equivalent Ga atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with four equivalent GaEr4Ga8 cuboctahedra, faces with four equivalent ErGa12 cuboctahedra, and faces with four equivalent GaEr4Ga8 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1025225
- 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-Er-Ga; ErGa5Co; crystal structure
- OSTI Identifier:
- 1355267
- DOI:
- https://doi.org/10.17188/1355267
Citation Formats
Materials Data on ErGa5Co by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355267.
Materials Data on ErGa5Co by Materials Project. United States. doi:https://doi.org/10.17188/1355267
2020.
"Materials Data on ErGa5Co by Materials Project". United States. doi:https://doi.org/10.17188/1355267. https://www.osti.gov/servlets/purl/1355267. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1355267,
title = {Materials Data on ErGa5Co by Materials Project},
abstractNote = {ErCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to twelve Ga atoms to form ErGa12 cuboctahedra that share corners with four equivalent ErGa12 cuboctahedra, faces with four equivalent ErGa12 cuboctahedra, and faces with four equivalent GaEr4Ga8 cuboctahedra. All Er–Ga bond lengths are 2.98 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Co, and seven Ga atoms. There are one shorter (2.59 Å) and six longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Er and eight equivalent Ga atoms to form distorted GaEr4Ga8 cuboctahedra that share corners with four equivalent GaEr4Ga8 cuboctahedra, faces with four equivalent ErGa12 cuboctahedra, and faces with four equivalent GaEr4Ga8 cuboctahedra.},
doi = {10.17188/1355267},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}