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DOE OSTI2020

Materials Data on NdPbAu2 by Materials Project

NdAu2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a distorted body-centered cubic geometry to eight equivalent Au and six equivalent Pb atoms. All Nd–Au bond lengths are 3.16 Å. All Nd–Pb bond lengths are 3.65 Å. Au is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Pb atoms. All Au–Pb bond lengths are 3.16 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Nd and eight equivalent Au atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NdPbAu by Materials Project

NdAuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to six equivalent Au and six equivalent Pb atoms to form a mixture of edge and face-sharing NdPb6Au6 cuboctahedra. All Nd–Au bond lengths are 3.42 Å. All Nd–Pb bond lengths are 3.42 Å. Au is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Pb atoms. All Au–Pb bond lengths are 2.83 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Au atoms.

36 MATERIALS SCIENCE↗