Materials Data on SrEuNiO4 by Materials Project

Abstract

SrEuNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.73 Å. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.34–2.72 Å. Ni3+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Ni–O bond distances ranging from 1.92–2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Ni3+ atoms to form distorted OSr2Eu2Ni2 octahedra that share corners with fourteen OSrEu4Ni octahedra, edges with two equivalent OSr2Eu2Ni2 octahedra, and faces with eight OSrEu4Ni octahedra. The corner-sharing octahedra tilt angles range from 6–54°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent Eu3+, and one Ni3+ atom to form distorted OSrEu4Ni octahedra that share corners with seventeen OSrEu4Ni octahedra, edges with eight OSrEu4Ni octahedra, and faces with four equivalent OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Eu3+, and one Ni3+ atom to form distorted OSr4EuNi octahedra that share corners with seventeen OSrEu4Ni octahedra, edges with eight OSrEu4Ni octahedra, and faces with four equivalent OSr2Eu2Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°.