Materials Data on Eu2BBrN2 by Materials Project

Abstract

Eu2BN2Br crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Br1- atoms. All Eu–N bond lengths are 2.48 Å. All Eu–Br bond lengths are 3.27 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded to three equivalent Eu2+ and one B3+ atom to form NEu3B tetrahedra that share corners with three equivalent BrEu6 octahedra, corners with seven equivalent NEu3B tetrahedra, and edges with three equivalent BrEu6 octahedra. The corner-sharing octahedral tilt angles are 25°. Br1- is bonded to six equivalent Eu2+ atoms to form distorted BrEu6 octahedra that share corners with six equivalent NEu3B tetrahedra, edges with six equivalent BrEu6 octahedra, and edges with six equivalent NEu3B tetrahedra.