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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2CdPd2 by Materials Project

Pr2Pd2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Cd atoms. There are two shorter (2.97 Å) and four longer (3.12 Å) Pr–Pd bond lengths. All Pr–Cd bond lengths are 3.52 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr, one Pd, and two equivalent Cd atoms. The Pd–Pd bond length is 2.83 Å. Both Pd–Cd bond lengths are 3.10 Å. Cd is bonded to eight equivalent Pr and four equivalent Pd atoms to form a mixture of face and corner-sharing CdPr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr6Cd4Pd13 by Materials Project

Pr6Pd13Cd4 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to five Pd atoms. There are four shorter (2.97 Å) and one longer (3.00 Å) Pr–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pr and two equivalent Cd atoms. Both Pd–Cd bond lengths are 2.79 Å. In the second Pd site, Pd is bonded in an octahedral geometry to six equivalent Pr atoms. Cd is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCdPd by Materials Project

PrPdCd 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 Cd atoms. There are four shorter (3.12 Å) and one longer (3.19 Å) Pr–Pd bond lengths. There are two shorter (3.35 Å) and four longer (3.45 Å) Pr–Cd 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 Cd atoms. All Pd–Cd bond lengths are 2.97 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Cd atoms. All Pd–Cd bond lengths are 2.82 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗