U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd2Si3Rh by Materials Project
Abstract
Nd2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve equivalent Si atoms to form NdSi12 cuboctahedra that share edges with twelve equivalent NdSi8Rh4 cuboctahedra and faces with eight NdSi12 cuboctahedra. There are six shorter (3.16 Å) and six longer (3.18 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing NdSi8Rh4 cuboctahedra. There are two shorter (3.17 Å) and two longer (3.19 Å) Nd–Rh bond lengths. There are four shorter (3.17 Å) and four longer (3.19 Å) Nd–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 1-coordinate geometry to six Nd, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å.
- Publication Date:
- Other Number(s):
- mp-864665
- 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; Nd-Rh-Si; Nd2Si3Rh; crystal structure
- OSTI Identifier:
- 1734258
- DOI:
- https://doi.org/10.17188/1734258
Citation Formats
Materials Data on Nd2Si3Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1734258.
Materials Data on Nd2Si3Rh by Materials Project. United States. doi:https://doi.org/10.17188/1734258
2020.
"Materials Data on Nd2Si3Rh by Materials Project". United States. doi:https://doi.org/10.17188/1734258. https://www.osti.gov/servlets/purl/1734258. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1734258,
title = {Materials Data on Nd2Si3Rh by Materials Project},
abstractNote = {Nd2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve equivalent Si atoms to form NdSi12 cuboctahedra that share edges with twelve equivalent NdSi8Rh4 cuboctahedra and faces with eight NdSi12 cuboctahedra. There are six shorter (3.16 Å) and six longer (3.18 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing NdSi8Rh4 cuboctahedra. There are two shorter (3.17 Å) and two longer (3.19 Å) Nd–Rh bond lengths. There are four shorter (3.17 Å) and four longer (3.19 Å) Nd–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Rh–Si bond lengths are 2.40 Å. Si is bonded in a 1-coordinate geometry to six Nd, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å.},
doi = {10.17188/1734258},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}