Materials Data on Eu2(ZnNi)5 by Materials Project

Abstract

Eu2(NiZn)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 6-coordinate geometry to six Ni and twelve Zn atoms. There are four shorter (3.06 Å) and two longer (3.07 Å) Eu–Ni bond lengths. All Eu–Zn bond lengths are 3.33 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to ten Ni and eight equivalent Zn atoms. There are a spread of Eu–Ni bond distances ranging from 3.01–3.33 Å. All Eu–Zn bond lengths are 3.26 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three Eu, two equivalent Ni, and four equivalent Zn atoms. Both Ni–Ni bond lengths are 2.46 Å. All Ni–Zn bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Eu and six Zn atoms. There are two shorter (2.50 Å) and four longer (2.54 Å) Ni–Zn bond lengths. In the third Ni site, Ni is bonded to four equivalent Eu, four equivalent Ni, and four equivalent Zn atoms to form distorted NiEu4Zn4Ni4 cuboctahedra that share corners with four equivalent NiEu4Zn4Ni4 cuboctahedra, corners with twelve ZnEu4Zn4Ni4 cuboctahedra, edges with two equivalent NiEu4Zn4Ni4 cuboctahedra, edges with eight equivalent ZnEu4Zn3Ni5 cuboctahedra, faces with two equivalent NiEu4Zn4Ni4 cuboctahedra, and faces with eight equivalent ZnEu4Zn3Ni5 cuboctahedra. All Ni–Zn bond lengths are 2.56 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Eu, four equivalent Ni, and four equivalent Zn atoms to form distorted ZnEu4Zn4Ni4 cuboctahedra that share corners with four equivalent NiEu4Zn4Ni4 cuboctahedra, corners with twelve ZnEu4Zn3Ni5 cuboctahedra, edges with ten ZnEu4Zn4Ni4 cuboctahedra, and faces with ten ZnEu4Zn4Ni4 cuboctahedra. All Zn–Zn bond lengths are 2.68 Å. In the second Zn site, Zn is bonded to four Eu, five Ni, and three Zn atoms to form distorted ZnEu4Zn3Ni5 cuboctahedra that share corners with two equivalent NiEu4Zn4Ni4 cuboctahedra, corners with fourteen ZnEu4Zn4Ni4 cuboctahedra, edges with two equivalent NiEu4Zn4Ni4 cuboctahedra, edges with eight ZnEu4Zn4Ni4 cuboctahedra, faces with two equivalent NiEu4Zn4Ni4 cuboctahedra, and faces with eight ZnEu4Zn4Ni4 cuboctahedra. There are one shorter (2.63 Å) and one longer (2.70 Å) Zn–Zn bond lengths.