Materials Data on LiEuAs by Materials Project

Abstract

LiEuAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four equivalent As3- atoms to form LiAs4 tetrahedra that share corners with eight equivalent EuAs5 square pyramids, corners with eight equivalent LiAs4 tetrahedra, edges with six equivalent EuAs5 square pyramids, and edges with two equivalent LiAs4 tetrahedra. There are a spread of Li–As bond distances ranging from 2.65–2.86 Å. Eu2+ is bonded to five equivalent As3- atoms to form distorted EuAs5 square pyramids that share corners with eight equivalent EuAs5 square pyramids, corners with eight equivalent LiAs4 tetrahedra, edges with six equivalent EuAs5 square pyramids, and edges with six equivalent LiAs4 tetrahedra. There are one shorter (3.11 Å) and four longer (3.19 Å) Eu–As bond lengths. As3- is bonded in a 9-coordinate geometry to four equivalent Li1+ and five equivalent Eu2+ atoms.