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Materials Data on Dy3(P3Pd10)2 by Materials Project

Dy3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to sixteen Pd atoms to form distorted DyPd16 tetrahedra that share edges with six equivalent DyPd16 tetrahedra and faces with four equivalent DyP6Pd12 cuboctahedra. There are four shorter (2.85 Å) and twelve longer (3.35 Å) Dy–Pd bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing DyP6Pd12 cuboctahedra. All Dy–Pd bond lengths are 3.00 Å. All Dy–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 Dy, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.05 Å. All Pd–P bond lengths are 2.50 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Dy, nine Pd, and two equivalent P atoms. There are one shorter (2.69 Å) and four longer (3.00 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.40 Å. P is bonded in a 9-coordinate geometry to one Dy and eight Pd atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyPPd by Materials Project

DyPdP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent P atoms. There are a spread of Dy–Pd bond distances ranging from 3.03–3.24 Å. There are a spread of Dy–P bond distances ranging from 2.85–2.91 Å. Pd is bonded to six equivalent Dy, two equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdDy6P4Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.02 Å. There are three shorter (2.56 Å) and one longer (2.73 Å) Pd–P bond lengths. P is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗

Materials Data on Dy(PPd)2 by Materials Project

Dy(PdP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent P atoms. All Dy–Pd bond lengths are 3.22 Å. All Dy–P bond lengths are 3.10 Å. Pd is bonded to four equivalent Dy, four equivalent Pd, and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdDy4P4Pd4 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 Dy, four equivalent Pd, and one P atom. The P–P bond length is 2.20 Å.

36 MATERIALS SCIENCE↗