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DOE OSTI2020

Materials Data on YPbAu by Materials Project

YAuPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded to four equivalent Au and six equivalent Pb atoms to form a mixture of distorted corner and face-sharing YPb6Au4 tetrahedra. All Y–Au bond lengths are 2.97 Å. All Y–Pb bond lengths are 3.43 Å. Au is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Pb atoms. All Au–Pb bond lengths are 2.97 Å. Pb is bonded in a distorted q6 geometry to six equivalent Y and four equivalent Au atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Y2PbAu by Materials Project

Y2AuPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2AuPb ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Au and one Pb atom. The Y–Au bond length is 2.88 Å. The Y–Pb bond length is 2.86 Å. Au is bonded in a linear geometry to two equivalent Y atoms. Pb is bonded in a linear geometry to two equivalent Y atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YPbAu2 by Materials Project

YAu2Pb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YAu2Pb ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Au atoms. Both Y–Au bond lengths are 2.72 Å. Au is bonded in a linear geometry to one Y and one Pb atom. The Au–Pb bond length is 2.81 Å. Pb is bonded in a linear geometry to two equivalent Au atoms.

36 MATERIALS SCIENCE↗