Materials Data on Dy2Si3Rh by Materials Project
Dy2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve equivalent Si atoms to form DySi12 cuboctahedra that share edges with twelve equivalent DySi8Rh4 cuboctahedra and faces with eight DySi12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.08 Å) Dy–Si bond lengths. In the second Dy site, Dy is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of edge and face-sharing DySi8Rh4 cuboctahedra. There are two shorter (3.05 Å) and two longer (3.11 Å) Dy–Rh bond lengths. There are four shorter (3.07 Å) and four longer (3.10 Å) Dy–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Dy, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.35 Å.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1654088
- Report Number(s):
- mp-1213129
- Country of Publication:
- United States
- Language:
- English
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