Materials Data on LiEu2CBr3N2 by Materials Project

Abstract

LiEu2CN2Br3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Br1- atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Li–Br bond lengths are 2.79 Å. Eu2+ is bonded in a 6-coordinate geometry to three equivalent N3- and six equivalent Br1- atoms. All Eu–N bond lengths are 2.56 Å. There are three shorter (3.24 Å) and three longer (3.61 Å) Eu–Br bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded to three equivalent Eu2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NEu3C tetrahedra. Br1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and four equivalent Eu2+ atoms.