U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdSi3Rh by Materials Project
Abstract
NdRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.37 Å) and one longer (3.41 Å) Nd–Rh bond lengths. There are a spread of Nd–Si bond distances ranging from 3.12–3.36 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Nd and five Si atoms. There are four shorter (2.37 Å) and one longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Nd, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Nd, two equivalent Rh, and two equivalent Si atoms.
- Publication Date:
- Other Number(s):
- mp-1070321
- 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; NdSi3Rh; crystal structure
- OSTI Identifier:
- 1678056
- DOI:
- https://doi.org/10.17188/1678056
Citation Formats
Materials Data on NdSi3Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1678056.
Materials Data on NdSi3Rh by Materials Project. United States. doi:https://doi.org/10.17188/1678056
2020.
"Materials Data on NdSi3Rh by Materials Project". United States. doi:https://doi.org/10.17188/1678056. https://www.osti.gov/servlets/purl/1678056. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1678056,
title = {Materials Data on NdSi3Rh by Materials Project},
abstractNote = {NdRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.37 Å) and one longer (3.41 Å) Nd–Rh bond lengths. There are a spread of Nd–Si bond distances ranging from 3.12–3.36 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Nd and five Si atoms. There are four shorter (2.37 Å) and one longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Nd, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Nd, two equivalent Rh, and two equivalent Si atoms.},
doi = {10.17188/1678056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}