DOE OSTI2020
YPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are four shorter (3.13 Å) and two longer (3.14 Å) Y–Pd bond lengths. There are four shorter (3.11 Å) and two longer (3.22 Å) Y–Ge bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Y–Pd bond distances ranging from 2.98–3.23 Å. There are a spread of Y–Ge bond distances ranging from 3.04–3.29 Å. In the third Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.23 Å) and four longer (3.27 Å) Y–Pd bond lengths. There are two shorter (3.01 Å) and four longer (3.03 Å) Y–Ge bond lengths. In the fourth Y site, Y is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Y–Pd bond distances ranging from 3.06–3.16 Å. There are a spread of Y–Ge bond distances ranging from 3.10–3.25 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Y and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.77 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Y and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.94 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Y, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.05 Å. There are two shorter (2.56 Å) and one longer (2.59 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Y, three Pd, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Y and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Y and four Pd atoms.