Materials Data on ZrRu2 by Materials Project
Ru2Zr is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Zr–Ru bond distances ranging from 3.04–3.08 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Zr and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuZr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Zr and six Ru atoms to form a mixture of corner, edge, and face-sharing RuZr6Ru6 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.68 Å) Ru–Ru bond lengths.
- 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:
- 1275399
- Report Number(s):
- mp-569979
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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