Materials Data on NdFeSi2Os by Materials Project

Abstract

NdOsFeSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Nd–Si bond lengths are 3.19 Å. Os2+ is bonded to four equivalent Si4- atoms to form OsSi4 tetrahedra that share corners with four equivalent OsSi4 tetrahedra and edges with four equivalent FeSi4 tetrahedra. All Os–Si bond lengths are 2.35 Å. Fe3+ is bonded to four equivalent Si4- atoms to form FeSi4 tetrahedra that share corners with four equivalent FeSi4 tetrahedra and edges with four equivalent OsSi4 tetrahedra. All Fe–Si bond lengths are 2.35 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, two equivalent Os2+, two equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.64 Å.