Materials Data on Nd2FeSi2Ru by Materials Project

Abstract

Nd2RuFeSi2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Nd2+ is bonded in a 7-coordinate geometry to two equivalent Fe2+ and five equivalent Si4- atoms. Both Nd–Fe bond lengths are 3.04 Å. There are four shorter (3.12 Å) and one longer (3.55 Å) Nd–Si bond lengths. Ru2+ is bonded to four equivalent Si4- atoms to form corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. Fe2+ is bonded in a 4-coordinate geometry to four equivalent Nd2+ and four equivalent Si4- atoms. All Fe–Si bond lengths are 2.40 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nd2+, two equivalent Ru2+, and two equivalent Fe2+ atoms.