U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2Si3Rh by Materials Project
Abstract
Y2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve equivalent Si atoms to form YSi12 cuboctahedra that share edges with twelve equivalent YSi8Rh4 cuboctahedra and faces with eight YSi12 cuboctahedra. All Y–Si bond lengths are 3.09 Å. In the second Y site, Y is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing YSi8Rh4 cuboctahedra. There are two shorter (3.03 Å) and two longer (3.17 Å) Y–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.13 Å) Y–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Y and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Y, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.
- Publication Date:
- Other Number(s):
- mp-1190773
- 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; Rh-Si-Y; Y2Si3Rh
- OSTI Identifier:
- 1651793
- DOI:
- https://doi.org/10.17188/1651793
Citation Formats
Materials Data on Y2Si3Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651793.
Materials Data on Y2Si3Rh by Materials Project. United States. doi:https://doi.org/10.17188/1651793
2020.
"Materials Data on Y2Si3Rh by Materials Project". United States. doi:https://doi.org/10.17188/1651793. https://www.osti.gov/servlets/purl/1651793. Pub date:Thu Jul 23 20:00:00 EDT 2020
@article{osti_1651793,
title = {Materials Data on Y2Si3Rh by Materials Project},
abstractNote = {Y2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve equivalent Si atoms to form YSi12 cuboctahedra that share edges with twelve equivalent YSi8Rh4 cuboctahedra and faces with eight YSi12 cuboctahedra. All Y–Si bond lengths are 3.09 Å. In the second Y site, Y is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing YSi8Rh4 cuboctahedra. There are two shorter (3.03 Å) and two longer (3.17 Å) Y–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.13 Å) Y–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Y and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Y, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.},
doi = {10.17188/1651793},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}