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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y2Pd2Pb by Materials Project

Y2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.92 Å) and four longer (3.00 Å) Y–Pd bond lengths. All Y–Pb bond lengths are 3.46 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Y, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.81 Å. Both Pd–Pb bond lengths are 3.14 Å. Pb is bonded to eight equivalent Y and four equivalent Pd atoms to form a mixture of face and corner-sharing PbY8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPd2Pb by Materials Project

YPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Y–Pd bond lengths are 2.99 Å. All Y–Pb bond lengths are 3.46 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.99 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Y and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPdPb by Materials Project

YPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to four Pd and six equivalent Pb atoms. There are two shorter (2.92 Å) and two longer (2.96 Å) Y–Pd bond lengths. There are two shorter (3.26 Å) and four longer (3.44 Å) Y–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Y and three equivalent Pb atoms. All Pd–Pb bond lengths are 3.19 Å. In the second Pd site, Pd is bonded in a distorted trigonal planar geometry to three equivalent Y and six equivalent Pb atoms. All Pd–Pb bond lengths are 3.14 Å. Pb is bonded in a 11-coordinate geometry to six equivalent Y and five Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPdPb by Materials Project

YPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.09 Å) and one longer (3.14 Å) Y–Pd bond lengths. There are two shorter (3.27 Å) and four longer (3.38 Å) Y–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.86 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.92 Å. Pb is bonded in a distorted q6 geometry to six equivalent Y and four Pd atoms.

36 MATERIALS SCIENCE↗