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DOE OSTI2020

Materials Data on Sm3I by Materials Project

Sm3I is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent I atoms to form a mixture of distorted edge and corner-sharing SmI4 cuboctahedra. All Sm–I bond lengths are 3.64 Å. In the second Sm site, Sm is bonded in a square co-planar geometry to four equivalent I atoms. All Sm–I bond lengths are 3.44 Å. I is bonded to twelve Sm atoms to form a mixture of edge, face, and corner-sharing ISm12 cuboctahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Sm3I by Materials Project

Sm3I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a distorted see-saw-like geometry to four equivalent I atoms. There are two shorter (3.51 Å) and two longer (3.53 Å) Sm–I bond lengths. I is bonded to twelve equivalent Sm atoms to form a mixture of corner and face-sharing ISm12 cuboctahedra.

36 MATERIALS SCIENCE↗