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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2CdAu2 by Materials Project

Pr2Au2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Cd atoms. There are two shorter (3.04 Å) and four longer (3.15 Å) Pr–Au bond lengths. All Pr–Cd bond lengths are 3.62 Å. Au is bonded in a 9-coordinate geometry to six equivalent Pr and two equivalent Cd atoms. Both Au–Cd bond lengths are 3.25 Å. Cd is bonded to eight equivalent Pr and four equivalent Au atoms to form a mixture of corner and face-sharing CdPr8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCdAu by Materials Project

PrAuCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Au and six equivalent Cd atoms. There are four shorter (3.16 Å) and one longer (3.27 Å) Pr–Au bond lengths. There are two shorter (3.37 Å) and four longer (3.51 Å) Pr–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Cd atoms. All Au–Cd bond lengths are 2.88 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Cd atoms. All Au–Cd bond lengths are 3.03 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Pr and four Au atoms.

36 MATERIALS SCIENCE↗