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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2Pd2Pb by Materials Project

Pr2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.99 Å) and four longer (3.11 Å) Pr–Pd bond lengths. All Pr–Pb bond lengths are 3.54 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Pr, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.81 Å. Both Pd–Pb bond lengths are 3.22 Å. Pb is bonded to eight equivalent Pr and four equivalent Pd atoms to form a mixture of face and corner-sharing PbPr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPdPb by Materials Project

PrPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.17 Å) and one longer (3.24 Å) Pr–Pd bond lengths. There are two shorter (3.36 Å) and four longer (3.52 Å) Pr–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.99 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.90 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗