Materials Data on ZrRu3 by Materials Project
ZrRu3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Ru atoms to form a mixture of face and corner-sharing ZrRu12 cuboctahedra. There are six shorter (2.79 Å) and six longer (2.86 Å) Zr–Ru bond lengths. Ru is bonded in a distorted see-saw-like geometry to four equivalent Zr atoms.
- 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:
- 1676618
- Report Number(s):
- mp-1188033
- Country of Publication:
- United States
- Language:
- English
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