U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErRh5 by Materials Project
Abstract
ErRh5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.02 Å) and twelve longer (3.40 Å) Er–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Er and eight Rh atoms to form a mixture of edge, face, and corner-sharing RhEr4Rh8 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.64 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Er and nine Rh atoms. All Rh–Rh bond lengths are 3.02 Å.
- Publication Date:
- Other Number(s):
- mp-1805
- 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; Er-Rh; ErRh5; crystal structure
- OSTI Identifier:
- 1192866
- DOI:
- https://doi.org/10.17188/1192866
Citation Formats
Materials Data on ErRh5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192866.
Materials Data on ErRh5 by Materials Project. United States. doi:https://doi.org/10.17188/1192866
2020.
"Materials Data on ErRh5 by Materials Project". United States. doi:https://doi.org/10.17188/1192866. https://www.osti.gov/servlets/purl/1192866. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1192866,
title = {Materials Data on ErRh5 by Materials Project},
abstractNote = {ErRh5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a distorted hexagonal planar geometry to eighteen Rh atoms. There are six shorter (3.02 Å) and twelve longer (3.40 Å) Er–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Er and eight Rh atoms to form a mixture of edge, face, and corner-sharing RhEr4Rh8 cuboctahedra. There are four shorter (2.61 Å) and four longer (2.64 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Er and nine Rh atoms. All Rh–Rh bond lengths are 3.02 Å.},
doi = {10.17188/1192866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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