U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2Si3Rh by Materials Project
Abstract
La2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to twelve equivalent Si atoms to form LaSi12 cuboctahedra that share edges with twelve equivalent LaSi8Rh4 cuboctahedra and faces with eight LaSi12 cuboctahedra. There are six shorter (3.22 Å) and six longer (3.24 Å) La–Si bond lengths. In the second La site, La is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing LaSi8Rh4 cuboctahedra. All La–Rh bond lengths are 3.24 Å. There are four shorter (3.23 Å) and four longer (3.25 Å) La–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Si atoms. All Rh–Si bond lengths are 2.42 Å. Si is bonded in a 1-coordinate geometry to six La, one Rh, and two equivalent Si atoms. There are one shorter (2.39 Å) and one longer (2.40 Å) Si–Si bond lengths.
- Publication Date:
- Other Number(s):
- mp-1211323
- 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; La-Rh-Si; La2Si3Rh; crystal structure
- OSTI Identifier:
- 1695286
- DOI:
- https://doi.org/10.17188/1695286
Citation Formats
Materials Data on La2Si3Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695286.
Materials Data on La2Si3Rh by Materials Project. United States. doi:https://doi.org/10.17188/1695286
2020.
"Materials Data on La2Si3Rh by Materials Project". United States. doi:https://doi.org/10.17188/1695286. https://www.osti.gov/servlets/purl/1695286. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1695286,
title = {Materials Data on La2Si3Rh by Materials Project},
abstractNote = {La2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to twelve equivalent Si atoms to form LaSi12 cuboctahedra that share edges with twelve equivalent LaSi8Rh4 cuboctahedra and faces with eight LaSi12 cuboctahedra. There are six shorter (3.22 Å) and six longer (3.24 Å) La–Si bond lengths. In the second La site, La is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing LaSi8Rh4 cuboctahedra. All La–Rh bond lengths are 3.24 Å. There are four shorter (3.23 Å) and four longer (3.25 Å) La–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Si atoms. All Rh–Si bond lengths are 2.42 Å. Si is bonded in a 1-coordinate geometry to six La, one Rh, and two equivalent Si atoms. There are one shorter (2.39 Å) and one longer (2.40 Å) Si–Si bond lengths.},
doi = {10.17188/1695286},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}