Materials Data on SrEu3(NiO4)2 by Materials Project

Abstract

SrEu3(NiO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 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 2.44–2.73 Å. There are three inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.33–2.73 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.73 Å. In the third Eu3+ site, 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. There are two inequivalent Ni+2.50+ sites. In the first Ni+2.50+ site, Ni+2.50+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Ni–O bond distances ranging from 1.91–2.18 Å. In the second Ni+2.50+ site, Ni+2.50+ is bonded to six O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Ni–O bond distances ranging from 1.91–2.12 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five Eu3+ and one Ni+2.50+ atom to form distorted OEu5Ni octahedra that share corners with seventeen OSrEu3Ni2 octahedra, edges with eight OSrEu4Ni octahedra, and faces with four equivalent OSrEu3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–52°. In the second O2- site, O2- is bonded to one Sr2+, four Eu3+, and one Ni+2.50+ atom to form distorted OSrEu4Ni octahedra that share corners with seventeen OSrEu3Ni2 octahedra, edges with eight OEu5Ni octahedra, and faces with four equivalent OSrEu3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to two equivalent Sr2+, three Eu3+, and one Ni+2.50+ atom to form distorted OSr2Eu3Ni octahedra that share corners with seventeen OSrEu3Ni2 octahedra, edges with eight OEu5Ni octahedra, and faces with four equivalent OSrEu3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, three Eu3+, and one Ni+2.50+ atom to form distorted OSr2Eu3Ni octahedra that share corners with seventeen OSrEu3Ni2 octahedra, edges with eight OEu5Ni octahedra, and faces with four equivalent OSrEu3Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the fifth O2- site, O2- is bonded to one Sr2+, three Eu3+, and two Ni+2.50+ atoms to form distorted OSrEu3Ni2 octahedra that share corners with fourteen OEu5Ni octahedra, edges with two equivalent OSrEu3Ni2 octahedra, and faces with eight OEu5Ni octahedra. The corner-sharing octahedra tilt angles range from 3–54°.