Materials Data on SiRh3 by Materials Project
Rh3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Si atoms to form distorted RhSi4Rh8 cuboctahedra that share corners with twelve equivalent RhSi4Rh8 cuboctahedra, edges with eight equivalent SiRh12 cuboctahedra, edges with sixteen RhSi4Rh8 cuboctahedra, faces with four equivalent SiRh12 cuboctahedra, and faces with fourteen RhSi4Rh8 cuboctahedra. There are four shorter (2.67 Å) and four longer (2.73 Å) Rh–Rh bond lengths. All Rh–Si bond lengths are 2.67 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Si atoms to form RhSi4Rh8 cuboctahedra that share corners with four equivalent RhSi4Rh8 cuboctahedra, corners with eight equivalent SiRh12 cuboctahedra, edges with twenty-four RhSi4Rh8 cuboctahedra, faces with six equivalent SiRh12 cuboctahedra, and faces with twelve RhSi4Rh8 cuboctahedra. All Rh–Si bond lengths are 2.73 Å. Si is bonded to twelve Rh atoms to form SiRh12 cuboctahedra that share corners with four equivalent SiRh12 cuboctahedra, corners with eight equivalent RhSi4Rh8 cuboctahedra, edges with eight equivalent SiRh12 cuboctahedra, edges with sixteen equivalent RhSi4Rh8 cuboctahedra, faces with four equivalent SiRh12 cuboctahedra, and faces with fourteen RhSi4Rh8 cuboctahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1315962
- Report Number(s):
- mp-978552
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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