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DOE OSTI2020

Materials Data on HoPPd by Materials Project

HoPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Ho–Pd bond distances ranging from 3.02–3.25 Å. There are a spread of Ho–P bond distances ranging from 2.83–2.91 Å. Pd is bonded to six equivalent Ho, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted face, edge, and corner-sharing PdHo6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.02 Å. There are three shorter (2.55 Å) and one longer (2.77 Å) Pd–P bond lengths. P is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ho(PPd)2 by Materials Project

Ho(PdP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent P atoms. All Ho–Pd bond lengths are 3.21 Å. All Ho–P bond lengths are 3.09 Å. Pd is bonded to four equivalent Ho, four equivalent Pd, and four equivalent P atoms to form a mixture of distorted edge, corner, and face-sharing PdHo4P4Pd4 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. All Pd–P bond lengths are 2.47 Å. P is bonded in a 9-coordinate geometry to four equivalent Ho, four equivalent Pd, and one P atom. The P–P bond length is 2.19 Å.

36 MATERIALS SCIENCE↗