Materials Data on ErCo3Si2 by Materials Project

Abstract

ErCo3Si2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er3+ is bonded in a hexagonal planar geometry to six equivalent Si4- atoms. There are a spread of Er–Si bond distances ranging from 2.96–3.07 Å. There are two inequivalent Co+1.67+ sites. In the first Co+1.67+ site, Co+1.67+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.31 Å. In the second Co+1.67+ site, Co+1.67+ is bonded in a rectangular see-saw-like geometry to four equivalent Si4- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Co–Si bond lengths. Si4- is bonded in a 10-coordinate geometry to three equivalent Er3+, six Co+1.67+, and one Si4- atom. The Si–Si bond length is 2.65 Å.