Materials Data on Er4SiNi3 by Materials Project

Abstract

Er4Ni3Si crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to six Ni and one Si atom. There are four shorter (2.88 Å) and two longer (2.89 Å) Er–Ni bond lengths. The Er–Si bond length is 3.03 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to five Ni and two equivalent Si atoms. There are four shorter (2.90 Å) and one longer (2.95 Å) Er–Ni bond lengths. Both Er–Si bond lengths are 2.91 Å. In the third Er site, Er is bonded in a 7-coordinate geometry to three Ni and four equivalent Si atoms. There are two shorter (2.91 Å) and one longer (2.96 Å) Er–Ni bond lengths. All Er–Si bond lengths are 2.90 Å. In the fourth Er site, Er is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Er–Ni bond distances ranging from 2.88–2.99 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.47 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 9-coordinate geometry to seven Er and two equivalent Si atoms. Both Ni–Si bond lengths are 2.45 Å. Si is bonded in a 9-coordinate geometry to seven Er and two equivalent Ni atoms.