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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti3Pd5 by Materials Project

Pd5Ti3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Ti–Pd bond distances ranging from 2.64–2.82 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to ten Pd atoms. There are eight shorter (2.72 Å) and two longer (2.97 Å) Ti–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to five Ti atoms. In the second Pd site, Pd is bonded in a 10-coordinate geometry to five Ti atoms. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3Pd5 by Materials Project

Pd5Ti3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted linear geometry to two equivalent Pd atoms. Both Ti–Pd bond lengths are 2.83 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Pd atoms. There are four shorter (2.64 Å) and one longer (2.70 Å) Ti–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to ten Pd atoms. There are eight shorter (2.77 Å) and two longer (2.97 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to five Ti and one Pd atom. In the third Pd site, Pd is bonded in a distorted single-bond geometry to one Ti and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗