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All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Materials Data on Ho3(P3Pd10)2 by Materials Project

Ho3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to sixteen Pd atoms to form distorted HoPd16 tetrahedra that share edges with six equivalent HoPd16 tetrahedra and faces with four equivalent HoP6Pd12 cuboctahedra. There are four shorter (2.84 Å) and twelve longer (3.35 Å) Ho–Pd bond lengths. In the second Ho site, Ho is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing HoP6Pd12 cuboctahedra. All Ho–Pd bond lengths are 2.99 Å. All Ho–P bond lengths are 3.24 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Ho, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.04 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Ho, nine Pd, and two equivalent P atoms. There are one shorter (2.69 Å) and four longer (2.99 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Ho and eight Pd atoms.

36 MATERIALS SCIENCE↗