Materials Data on ScFeSi by Materials Project
ScFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc2+ is bonded in a 5-coordinate geometry to six equivalent Si4- atoms. There are a spread of Sc–Si bond distances ranging from 2.80–3.04 Å. Fe2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing FeSi4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.40 Å) Fe–Si bond lengths. Si4- is bonded in a 10-coordinate geometry to six equivalent Sc2+ and four equivalent Fe2+ atoms.
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