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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er2Pd2Pb by Materials Project

Er2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.90 Å) and four longer (2.96 Å) Er–Pd bond lengths. All Er–Pb bond lengths are 3.44 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Er and two equivalent Pb atoms. Both Pd–Pb bond lengths are 3.13 Å. Pb is bonded to eight equivalent Er and four equivalent Pd atoms to form a mixture of distorted corner and face-sharing PbEr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPd2Pb by Materials Project

ErPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Er–Pd bond lengths are 2.97 Å. All Er–Pb bond lengths are 3.43 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Er and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.97 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Er and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPdPb by Materials Project

ErPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.07 Å) and one longer (3.14 Å) Er–Pd bond lengths. There are two shorter (3.25 Å) and four longer (3.37 Å) Er–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.84 Å. Pb is bonded in a distorted q6 geometry to six equivalent Er and four Pd atoms.

36 MATERIALS SCIENCE↗