Materials Data on Al3(BRu2)2 by Materials Project
Ru4Al3B2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to six Al and two equivalent B atoms. There are four shorter (2.56 Å) and two longer (2.59 Å) Ru–Al bond lengths. Both Ru–B bond lengths are 2.16 Å. In the second Ru site, Ru is bonded in a 10-coordinate geometry to six Al and four equivalent B atoms. There are two shorter (2.64 Å) and four longer (2.87 Å) Ru–Al bond lengths. All Ru–B bond lengths are 2.28 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. In the second Al site, Al is bonded to eight equivalent Ru and four equivalent B atoms to form distorted face-sharing AlB4Ru8 cuboctahedra. All Al–B bond lengths are 2.34 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to eight Ru, one Al, and two equivalent B atoms. The Al–Al bond length is 2.62 Å. Both Al–B bond lengths are 2.65 Å. B is bonded in a 7-coordinate geometry to six Ru and three Al atoms.
- 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:
- 1266269
- Report Number(s):
- mp-541849
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ti2FeB2Ru3Rh2 by Materials Project
Materials Data on Nb3B2Ru5 by Materials Project