U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaGa3Cu by Materials Project
Abstract
LaCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All La–Cu bond lengths are 3.41 Å. There are eight shorter (3.27 Å) and four longer (3.41 Å) La–Ga bond lengths. Cu is bonded to four equivalent La and eight Ga atoms to form distorted CuLa4Ga8 cuboctahedra that share corners with four equivalent GaLa4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuLa4Ga8 cuboctahedra, edges with two equivalent GaLa4Ga4Cu4 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra. There are four shorter (2.55 Å) and four longer (3.02 Å) Cu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La, two equivalent Cu, and three Ga atoms. There are one shorter (2.53 Å) and two longer (2.55 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent La, four equivalent Cu, and four equivalent Ga atoms to form GaLa4Ga4Cu4 cuboctahedra that share corners with four equivalent CuLa4Ga8 cuboctahedra, corners with twelve equivalent GaLa4Ga4Cu4 cuboctahedra, edges with two equivalent CuLa4Ga8 cuboctahedra, faces withmore »
- Publication Date:
- Other Number(s):
- mp-1222853
- 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; crystal structure; Cu-Ga-La; LaGa3Cu
- OSTI Identifier:
- 1651942
- DOI:
- https://doi.org/10.17188/1651942
Citation Formats
Materials Data on LaGa3Cu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651942.
Materials Data on LaGa3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1651942
2020.
"Materials Data on LaGa3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1651942. https://www.osti.gov/servlets/purl/1651942. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1651942,
title = {Materials Data on LaGa3Cu by Materials Project},
abstractNote = {LaCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All La–Cu bond lengths are 3.41 Å. There are eight shorter (3.27 Å) and four longer (3.41 Å) La–Ga bond lengths. Cu is bonded to four equivalent La and eight Ga atoms to form distorted CuLa4Ga8 cuboctahedra that share corners with four equivalent GaLa4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuLa4Ga8 cuboctahedra, edges with two equivalent GaLa4Ga4Cu4 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra. There are four shorter (2.55 Å) and four longer (3.02 Å) Cu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La, two equivalent Cu, and three Ga atoms. There are one shorter (2.53 Å) and two longer (2.55 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent La, four equivalent Cu, and four equivalent Ga atoms to form GaLa4Ga4Cu4 cuboctahedra that share corners with four equivalent CuLa4Ga8 cuboctahedra, corners with twelve equivalent GaLa4Ga4Cu4 cuboctahedra, edges with two equivalent CuLa4Ga8 cuboctahedra, faces with four equivalent CuLa4Ga8 cuboctahedra, and faces with four equivalent GaLa4Ga4Cu4 cuboctahedra.},
doi = {10.17188/1651942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}