Materials Data on ErAlSi by Materials Project

Abstract

ErAlSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Er is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing ErAl6Si6 cuboctahedra. There are four shorter (3.13 Å) and two longer (3.14 Å) Er–Al bond lengths. There are four shorter (3.11 Å) and two longer (3.19 Å) Er–Si bond lengths. Al is bonded in a distorted trigonal planar geometry to six equivalent Er and three equivalent Si atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Al–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Er and three equivalent Al atoms.