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DOE OSTI2020

Materials Data on SmScSi by Materials Project

SmScSi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm2+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing SmSi5 trigonal bipyramids. All Sm–Si bond lengths are 3.13 Å. Sc2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Sc–Si bond lengths are 2.89 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Sm2+ and four equivalent Sc2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Sm2ScSi2 by Materials Project

Sm2ScSi2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (3.03 Å) and four longer (3.10 Å) Sm–Si bond lengths. Sc2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Sc–Si bond lengths are 2.93 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Sm3+, two equivalent Sc2+, and one Si4- atom. The Si–Si bond length is 2.46 Å.

36 MATERIALS SCIENCE↗