Materials Data on Al2B2Ru3 by Materials Project
Ru3Al2B2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 10-coordinate geometry to four equivalent Al and six equivalent B atoms. All Ru–Al bond lengths are 2.72 Å. There are four shorter (2.28 Å) and two longer (2.35 Å) Ru–B bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.54 Å. Al is bonded in a 9-coordinate geometry to eight Ru and one B atom. The Al–B bond length is 2.55 Å. B is bonded in a 9-coordinate geometry to six equivalent Ru, one Al, and two equivalent B atoms. Both B–B bond lengths are 1.81 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:
- 1204154
- Report Number(s):
- mp-29674
- Country of Publication:
- United States
- Language:
- English
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