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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PdPb2 by Materials Project

Pb2Pd is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pd is bonded in a 10-coordinate geometry to two equivalent Pd and eight equivalent Pb atoms. Both Pd–Pd bond lengths are 2.96 Å. All Pd–Pb bond lengths are 3.02 Å. Pb is bonded in a 7-coordinate geometry to four equivalent Pd and three equivalent Pb atoms. There are one shorter (3.25 Å) and two longer (3.43 Å) Pb–Pb bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pd3Pb by Materials Project

Pd3Pb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Pb atoms to form PdPd8Pb4 cuboctahedra that share corners with twelve equivalent PdPd8Pb4 cuboctahedra, edges with eight equivalent PbPd12 cuboctahedra, edges with sixteen equivalent PdPd8Pb4 cuboctahedra, faces with four equivalent PbPd12 cuboctahedra, and faces with fourteen equivalent PdPd8Pb4 cuboctahedra. All Pd–Pd bond lengths are 2.91 Å. All Pd–Pb bond lengths are 2.91 Å. Pb is bonded to twelve equivalent Pd atoms to form PbPd12 cuboctahedra that share corners with twelve equivalent PbPd12 cuboctahedra, edges with twenty-four equivalent PdPd8Pb4 cuboctahedra, faces with six equivalent PbPd12 cuboctahedra, and faces with twelve equivalent PdPd8Pb4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pd5Pb3 by Materials Project

Pb3Pd5 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded to six Pd and six Pb atoms to form a mixture of distorted face, edge, and corner-sharing PdPd6Pb6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.89–3.02 Å. There are a spread of Pd–Pb bond distances ranging from 2.91–3.31 Å. In the second Pd site, Pd is bonded to six Pd and six Pb atoms to form a mixture of distorted face, edge, and corner-sharing PdPd6Pb6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.85–3.06 Å. There are a spread of Pd–Pb bond distances ranging from 2.88–3.22 Å. In the third Pd site, Pd is bonded to six Pd and six Pb atoms to form a mixture of distorted face, edge, and corner-sharing PdPd6Pb6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.97–3.07 Å. There are a spread of Pd–Pb bond distances ranging from 2.87–3.41 Å. In the fourth Pd site, Pd is bonded in a 5-coordinate geometry to six Pd and five Pb atoms. There are a spread of Pd–Pb bond distances ranging from 2.79–2.95 Å. In the fifth Pd site, Pd is bonded in a 5-coordinate geometry to six Pd and five Pb atoms. There are a spread of Pd–Pb bond distances ranging from 2.79–2.92 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to nine Pd atoms. In the third Pb site, Pb is bonded in a 10-coordinate geometry to ten Pd atoms. In the fourth Pb site, Pb is bonded in a 9-coordinate geometry to nine Pd atoms.

36 MATERIALS SCIENCE↗