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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YCdPd2 by Materials Project

YPd2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Y–Pd bond lengths are 2.95 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.95 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y4CdPd by Materials Project

Y4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Y–Pd bond lengths are 2.89 Å. All Y–Cd bond lengths are 3.39 Å. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Y–Pd bond lengths are 2.88 Å. Both Y–Cd bond lengths are 3.54 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Y–Pd bond lengths are 3.57 Å. Both Y–Cd bond lengths are 3.29 Å. Pd is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗