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DOE OSTI2020

Materials Data on CeScSi by Materials Project

CeScSi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five equivalent Si atoms. There are four shorter (3.13 Å) and one longer (3.15 Å) Ce–Si bond lengths. Sc is bonded in a distorted square co-planar geometry to four equivalent Si atoms. All Sc–Si bond lengths are 2.88 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Sc atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ce2ScSi2 by Materials Project

Ce2ScSi2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted hexagonal planar geometry to six equivalent Si4- atoms. There are two shorter (3.00 Å) and four longer (3.11 Å) Ce–Si bond lengths. Sc2+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Sc–Si bond lengths are 2.90 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Ce3+, two equivalent Sc2+, and one Si4- atom. The Si–Si bond length is 2.47 Å.

36 MATERIALS SCIENCE↗