Materials Data on Eu(MgBi)2 by Materials Project

Abstract

EuMg2Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent EuBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent EuBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–55°. There are three shorter (2.97 Å) and one longer (3.01 Å) Mg–Bi bond lengths. Eu is bonded to six equivalent Bi atoms to form EuBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent EuBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Eu–Bi bond lengths are 3.40 Å. Bi is bonded to four equivalent Mg and three equivalent Eu atoms to form a mixture of distorted edge and corner-sharing BiEu3Mg4 pentagonal bipyramids.