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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrPPd by Materials Project

PrPdP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded to six equivalent Pd and six equivalent P atoms to form a mixture of edge and face-sharing PrP6Pd6 cuboctahedra. All Pr–Pd bond lengths are 3.16 Å. All Pr–P bond lengths are 3.16 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent P atoms. All Pd–P bond lengths are 2.46 Å. P is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(P3Pd10)2 by Materials Project

Pr3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to sixteen Pd atoms to form distorted PrPd16 tetrahedra that share edges with six equivalent PrPd16 tetrahedra and faces with four equivalent PrP6Pd12 cuboctahedra. There are four shorter (2.94 Å) and twelve longer (3.38 Å) Pr–Pd bond lengths. In the second Pr site, Pr is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing PrP6Pd12 cuboctahedra. All Pr–Pd bond lengths are 3.05 Å. All Pr–P bond lengths are 3.25 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Pr and three equivalent P atoms. All Pd–P bond lengths are 2.52 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Pr, one Pd, and two equivalent P atoms. The Pd–Pd bond length is 2.67 Å. Both Pd–P bond lengths are 2.42 Å. P is bonded in a 9-coordinate geometry to one Pr and eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(PPd)2 by Materials Project

PrPd2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent P atoms. All Pr–Pd bond lengths are 3.27 Å. All Pr–P bond lengths are 3.17 Å. Pd is bonded to four equivalent Pr and four equivalent P atoms to form a mixture of distorted corner, edge, and face-sharing PdPr4P4 cuboctahedra. All Pd–P bond lengths are 2.50 Å. P is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Pd, and one P atom. The P–P bond length is 2.27 Å.

36 MATERIALS SCIENCE↗