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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmI2 by Materials Project

SmI2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sm2+ is bonded to seven I1- atoms to form a mixture of distorted edge and corner-sharing SmI7 pentagonal bipyramids. There are a spread of Sm–I bond distances ranging from 3.13–3.37 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal planar geometry to three equivalent Sm2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Sm2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmI by Materials Project

SmI is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent I atoms. All Sm–I bond lengths are 3.25 Å. I is bonded in a 6-coordinate geometry to six equivalent Sm atoms.

36 MATERIALS SCIENCE↗
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↗