U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScGa2 by Materials Project
Abstract
ScGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.83–3.00 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.06 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the third Ga site, Ga is bonded to six equivalent Sc and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaSc6Ga6 cuboctahedra. Both Ga–Ga bond lengths are 2.78 Å.
- Publication Date:
- Other Number(s):
- mp-11413
- 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-Sc; ScGa2; crystal structure
- OSTI Identifier:
- 1187809
- DOI:
- https://doi.org/10.17188/1187809
Citation Formats
Materials Data on ScGa2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187809.
Materials Data on ScGa2 by Materials Project. United States. doi:https://doi.org/10.17188/1187809
2020.
"Materials Data on ScGa2 by Materials Project". United States. doi:https://doi.org/10.17188/1187809. https://www.osti.gov/servlets/purl/1187809. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1187809,
title = {Materials Data on ScGa2 by Materials Project},
abstractNote = {ScGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.83–3.00 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.06 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the third Ga site, Ga is bonded to six equivalent Sc and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaSc6Ga6 cuboctahedra. Both Ga–Ga bond lengths are 2.78 Å.},
doi = {10.17188/1187809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}