U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2Si3Rh by Materials Project
Abstract
Er2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve equivalent Si atoms to form ErSi12 cuboctahedra that share edges with twelve equivalent ErSi8Rh4 cuboctahedra and faces with eight ErSi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.07 Å) Er–Si bond lengths. In the second Er site, Er is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing ErSi8Rh4 cuboctahedra. There are two shorter (3.00 Å) and two longer (3.14 Å) Er–Rh bond lengths. There are a spread of Er–Si bond distances ranging from 3.01–3.11 Å. Rh is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Rh–Si bond lengths are 2.36 Å. Si is bonded in a 1-coordinate geometry to six Er, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.
- Publication Date:
- Other Number(s):
- mp-4289
- 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; Er-Rh-Si; Er2Si3Rh
- OSTI Identifier:
- 1208035
- DOI:
- https://doi.org/10.17188/1208035
Citation Formats
Materials Data on Er2Si3Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208035.
Materials Data on Er2Si3Rh by Materials Project. United States. doi:https://doi.org/10.17188/1208035
2020.
"Materials Data on Er2Si3Rh by Materials Project". United States. doi:https://doi.org/10.17188/1208035. https://www.osti.gov/servlets/purl/1208035. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1208035,
title = {Materials Data on Er2Si3Rh by Materials Project},
abstractNote = {Er2RhSi3 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve equivalent Si atoms to form ErSi12 cuboctahedra that share edges with twelve equivalent ErSi8Rh4 cuboctahedra and faces with eight ErSi12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.07 Å) Er–Si bond lengths. In the second Er site, Er is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing ErSi8Rh4 cuboctahedra. There are two shorter (3.00 Å) and two longer (3.14 Å) Er–Rh bond lengths. There are a spread of Er–Si bond distances ranging from 3.01–3.11 Å. Rh is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Si atoms. All Rh–Si bond lengths are 2.36 Å. Si is bonded in a 1-coordinate geometry to six Er, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.},
doi = {10.17188/1208035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}