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BePd is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Be–Pd bond lengths are 2.45 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Be atoms.
Be12Pd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to ten Be and two equivalent Pd atoms to form a mixture of face, edge, and corner-sharing BeBe10Pd2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.09–2.22 Å. Both Be–Pd bond lengths are 2.78 Å. In the second Be site, Be is bonded to ten Be and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing BeBe10Pd2 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.27–2.32 Å. Both Be–Pd bond lengths are 2.66 Å. In the third Be site, Be is bonded in a 10-coordinate geometry to nine Be and one Pd atom. The Be–Be bond length is 2.21 Å. The Be–Pd bond length is 2.53 Å. Pd is bonded in a 12-coordinate geometry to twenty Be atoms.
Be5Pd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be and four equivalent Pd atoms to form distorted BeBe12Pd4 tetrahedra that share corners with twelve equivalent BeBe9Pd3 cuboctahedra, faces with twenty-eight equivalent BeBe9Pd3 cuboctahedra, and faces with twelve equivalent BeBe12Pd4 tetrahedra. All Be–Be bond lengths are 2.48 Å. All Be–Pd bond lengths are 2.59 Å. In the second Be site, Be is bonded to nine Be and three equivalent Pd atoms to form distorted BeBe9Pd3 cuboctahedra that share corners with eighteen equivalent BeBe9Pd3 cuboctahedra, corners with three equivalent BeBe12Pd4 tetrahedra, edges with six equivalent BeBe9Pd3 cuboctahedra, faces with eighteen equivalent BeBe9Pd3 cuboctahedra, and faces with seven equivalent BeBe12Pd4 tetrahedra. All Be–Be bond lengths are 2.12 Å. All Be–Pd bond lengths are 2.48 Å. Pd is bonded in a 12-coordinate geometry to sixteen Be atoms.