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DOE OSTI2020

Materials Data on SmBi3 by Materials Project

SmBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Bi atoms to form a mixture of edge, corner, and face-sharing SmBi12 cuboctahedra. There are four shorter (3.33 Å) and eight longer (3.65 Å) Sm–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 12-coordinate geometry to four equivalent Sm and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.33 Å. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Sm atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on SmBi3 by Materials Project

SmBi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Bi atoms to form a mixture of face and corner-sharing SmBi12 cuboctahedra. There are six shorter (3.44 Å) and six longer (3.59 Å) Sm–Bi bond lengths. Bi is bonded in a 4-coordinate geometry to four equivalent Sm atoms.

36 MATERIALS SCIENCE↗