Materials Data on Eu2Co4Si3Ge by Materials Project

Abstract

Eu2Co4GeSi3 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Eu2Co4GeSi3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Eu–Si bond lengths are 3.12 Å. In the second Eu2+ site, Eu2+ is bonded in a body-centered cubic geometry to eight Si4- atoms. All Eu–Si bond lengths are 3.10 Å. There are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Co–Si bond lengths are 2.26 Å. In the second Co1+ site, Co1+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are two shorter (2.26 Å) and two longer (2.28 Å) Co–Si bond lengths. Ge4+ is bonded in a single-bond geometry to one Si4- atom. The Ge–Si bond length is 2.78 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Co1+, and one Si4- atom. The Si–Si bond length is 2.77 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Co1+, and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Co1+, and one Ge4+ atom.