U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2CuSi3 by Materials Project
Abstract
La2CuSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to three equivalent Cu and nine Si atoms to form a mixture of edge and face-sharing LaCu3Si9 cuboctahedra. All La–Cu bond lengths are 3.21 Å. There are three shorter (3.21 Å) and six longer (3.24 Å) La–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Cu–Si bond lengths are 2.40 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms.
- Publication Date:
- Other Number(s):
- mp-1223228
- 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-La-Si; La2CuSi3
- OSTI Identifier:
- 1740568
- DOI:
- https://doi.org/10.17188/1740568
Citation Formats
Materials Data on La2CuSi3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740568.
Materials Data on La2CuSi3 by Materials Project. United States. doi:https://doi.org/10.17188/1740568
2020.
"Materials Data on La2CuSi3 by Materials Project". United States. doi:https://doi.org/10.17188/1740568. https://www.osti.gov/servlets/purl/1740568. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1740568,
title = {Materials Data on La2CuSi3 by Materials Project},
abstractNote = {La2CuSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to three equivalent Cu and nine Si atoms to form a mixture of edge and face-sharing LaCu3Si9 cuboctahedra. All La–Cu bond lengths are 3.21 Å. There are three shorter (3.21 Å) and six longer (3.24 Å) La–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Cu–Si bond lengths are 2.40 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Si–Si bond lengths are 2.40 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms.},
doi = {10.17188/1740568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}