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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiAlOs2 by Materials Project

TiOs2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ti–Os bond lengths are 2.65 Å. Os is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Os–Al bond lengths are 2.65 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Os atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti6Al16Os7 by Materials Project

Ti6Os7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Os and eight Al atoms. All Ti–Os bond lengths are 3.07 Å. There are four shorter (2.79 Å) and four longer (2.85 Å) Ti–Al bond lengths. There are two inequivalent Os sites. In the first Os site, Os is bonded to four equivalent Ti and eight Al atoms to form a mixture of distorted corner and face-sharing OsTi4Al8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.67 Å) Os–Al bond lengths. In the second Os site, Os is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Os–Al bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Ti and three equivalent Os atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to three equivalent Ti and four Os atoms.

36 MATERIALS SCIENCE↗