Materials Data on Cr3Fe3SiAs2 by Materials Project

Abstract

Cr3Fe3SiAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to six equivalent Fe, one Si, and four equivalent As atoms. There are two shorter (2.77 Å) and four longer (2.81 Å) Cr–Fe bond lengths. The Cr–Si bond length is 2.47 Å. All Cr–As bond lengths are 2.57 Å. Fe is bonded in a 12-coordinate geometry to six equivalent Cr, two equivalent Fe, two equivalent Si, and two equivalent As atoms. Both Fe–Fe bond lengths are 2.53 Å. Both Fe–Si bond lengths are 2.32 Å. Both Fe–As bond lengths are 2.33 Å. Si is bonded in a distorted q6 geometry to three equivalent Cr and six equivalent Fe atoms. As is bonded in a 9-coordinate geometry to six equivalent Cr and three equivalent Fe atoms.