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DOE OSTI2020

Materials Data on LaScSi by Materials Project

LaScSi crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two LaScSi sheets oriented in the (0, 0, 1) direction. La2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All La–Si bond lengths are 3.14 Å. Sc2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Sc–Si bond lengths are 2.79 Å. Si4- is bonded in a body-centered cubic geometry to four equivalent La2+ and four equivalent Sc2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaScSi by Materials Project

LaScSi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La2+ is bonded to five equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing LaSi5 trigonal bipyramids. There are four shorter (3.22 Å) and one longer (3.33 Å) La–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 five equivalent La2+ and four equivalent Sc2+ atoms.

36 MATERIALS SCIENCE↗