Materials Data on Eu2Ni3Sb4 by Materials Project

Abstract

Eu2Ni3Sb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to nine Sb3- atoms. There are a spread of Eu–Sb bond distances ranging from 3.41–3.70 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.52 Å. In the second Ni2+ site, Ni2+ is bonded to four equivalent Sb3- atoms to form distorted corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.45 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 2-coordinate geometry to five equivalent Eu3+, two equivalent Ni2+, and one Sb3- atom. The Sb–Sb bond length is 2.93 Å. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Ni2+, and one Sb3- atom.