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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErBiPd by Materials Project

ErPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing ErBi6Pd4 tetrahedra. All Er–Pd bond lengths are 2.90 Å. All Er–Bi bond lengths are 3.35 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.90 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErBiPd by Materials Project

ErPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to six equivalent Pd and four equivalent Bi atoms. All Er–Pd bond lengths are 3.43 Å. All Er–Bi bond lengths are 2.97 Å. Pd is bonded in a distorted q6 geometry to six equivalent Er and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.97 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5BiPd2 by Materials Project

Er5Pd2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pd and two equivalent Bi atoms to form distorted corner-sharing ErBi2Pd4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Er–Pd bond lengths are 3.00 Å. Both Er–Bi bond lengths are 3.46 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to three equivalent Pd and two equivalent Bi atoms. There are one shorter (2.96 Å) and two longer (2.98 Å) Er–Pd bond lengths. Both Er–Bi bond lengths are 3.31 Å. Pd is bonded in a 8-coordinate geometry to eight Er atoms. Bi is bonded in a 10-coordinate geometry to ten Er atoms.

36 MATERIALS SCIENCE↗