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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr(AsPd)2 by Materials Project

Pr(PdAs)2 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 As atoms. All Pr–Pd bond lengths are 3.40 Å. All Pr–As bond lengths are 3.32 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent As atoms. All Pd–As bond lengths are 2.56 Å. As is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Pd, and one As atom. The As–As bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAsPd by Materials Project

PrPdAs 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 As atoms to form a mixture of edge and face-sharing PrAs6Pd6 cuboctahedra. All Pr–Pd bond lengths are 3.22 Å. All Pr–As bond lengths are 3.22 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent As atoms. All Pd–As bond lengths are 2.54 Å. As is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAsPd by Materials Project

PrPdAs is hexagonal omega structure-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded to six equivalent Pd and six equivalent As atoms to form a mixture of edge and face-sharing PrAs6Pd6 cuboctahedra. There are a spread of Pr–Pd bond distances ranging from 3.21–3.28 Å. There are a spread of Pr–As bond distances ranging from 3.21–3.35 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Pd atoms. All Pd–Pd bond lengths are 2.62 Å. As is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent As atoms. There are two shorter (2.54 Å) and one longer (2.78 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗