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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on Pr3Au by Materials Project

Pr3Au is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Au atoms to form a mixture of distorted edge and corner-sharing PrAu4 cuboctahedra. All Pr–Au bond lengths are 3.54 Å. In the second Pr site, Pr is bonded in a square co-planar geometry to four equivalent Au atoms. All Pr–Au bond lengths are 3.35 Å. Au is bonded to twelve Pr atoms to form a mixture of edge, corner, and face-sharing AuPr12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Au by Materials Project

Pr3Au crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a distorted see-saw-like geometry to four equivalent Au atoms. There are two shorter (3.31 Å) and two longer (3.56 Å) Pr–Au bond lengths. Au is bonded to twelve equivalent Pr atoms to form a mixture of face and corner-sharing AuPr12 cuboctahedra.

36 MATERIALS SCIENCE↗