Materials Data on Eu2NiO4 by Materials Project

Abstract

Eu2NiO4 is (La,Ba)CuO4 structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.30–2.76 Å. Ni2+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (1.90 Å) and two longer (2.11 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Eu3+ and one Ni2+ atom to form distorted OEu5Ni octahedra that share corners with seventeen OEu5Ni octahedra, edges with eight equivalent OEu5Ni octahedra, and faces with four equivalent OEu4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 2–53°. In the second O2- site, O2- is bonded to four equivalent Eu3+ and two equivalent Ni2+ atoms to form distorted OEu4Ni2 octahedra that share corners with fourteen OEu5Ni octahedra, edges with two equivalent OEu4Ni2 octahedra, and faces with eight OEu5Ni octahedra. The corner-sharing octahedra tilt angles range from 1–53°.