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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmBi by Materials Project

SmBi is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing SmBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Bi bond lengths are 3.22 Å. Bi is bonded to six equivalent Sm atoms to form a mixture of edge and corner-sharing BiSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm4Bi3 by Materials Project

Sm4Bi3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Bi atoms. There are three shorter (3.20 Å) and three longer (3.43 Å) Sm–Bi bond lengths. Bi is bonded to eight equivalent Sm atoms to form a mixture of distorted edge, corner, and face-sharing BiSm8 hexagonal bipyramids.

36 MATERIALS SCIENCE↗
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↗