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Materials Data on Al2B2Ru3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204154· OSTI ID:1204154
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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