Materials Data on YRu2 by Materials Project
YRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Y–Ru bond distances ranging from 3.10–3.21 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Y and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuY6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å. In the second Ru site, Ru is bonded to six equivalent Y and six Ru atoms to form a mixture of corner, edge, and face-sharing RuY6Ru6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.69 Å) Ru–Ru bond lengths.
- 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:
- 1272553
- Report Number(s):
- mp-568186
- Country of Publication:
- United States
- Language:
- English
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