Materials Data on Sc3Fe2Si3 by Materials Project

Kristin Persson
Sc3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sc+2.67+ sites. In the first Sc+2.67+ site, Sc+2.67+ is bonded to five Si4- atoms to form ScSi5 trigonal bipyramids that share corners with four equivalent FeSi4 tetrahedra, corners with six equivalent ScSi5 trigonal bipyramids, and edges with four equivalent FeSi4 tetrahedra. There are a spread of Sc–Si bond distances ranging from 2.71–3.08 Å. In the second Sc+2.67+ site, Sc+2.67+...
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