Materials Data on Y(Fe2Si)2 by Materials Project

Abstract

YFe4Si2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Si atoms. There are four shorter (3.11 Å) and eight longer (3.19 Å) Y–Fe bond lengths. There are two shorter (2.81 Å) and four longer (2.89 Å) Y–Si bond lengths. Fe is bonded in a 12-coordinate geometry to three equivalent Y, six equivalent Fe, and three equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.69 Å. There are one shorter (2.36 Å) and two longer (2.39 Å) Fe–Si bond lengths. Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Fe atoms.