Materials Data on ErCo9Si4 by Materials Project

Abstract

ErCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Er–Si bond lengths are 3.21 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.30 Å. In the second Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.27–2.41 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to two equivalent Co+1.44+ and four equivalent Si4- atoms. Both Co–Co bond lengths are 2.28 Å. There are two shorter (2.46 Å) and two longer (2.53 Å) Co–Si bond lengths. Si4- is bonded in a 12-coordinate geometry to two equivalent Er3+ and nine Co+1.44+ atoms.