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DOE OSTI2020

Materials Data on MgPd5 by Materials Project

MgPd5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to twelve Pd atoms to form a mixture of edge and corner-sharing MgPd12 cuboctahedra. There are six shorter (2.80 Å) and six longer (2.81 Å) Mg–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted bent 150 degrees geometry to two equivalent Mg atoms. In the second Pd site, Pd is bonded in a distorted trigonal planar geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on MgPd5 by Materials Project

MgPd5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to twelve Pd atoms to form a mixture of edge and face-sharing MgPd12 cuboctahedra. All Mg–Pd bond lengths are 2.81 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted water-like geometry to two equivalent Mg atoms. In the second Pd site, Pd is bonded in a distorted trigonal planar geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗