Materials Data on LiEuO2 by Materials Project
LiEuO2 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with six equivalent EuO6 octahedra, corners with two equivalent LiO4 tetrahedra, edges with three equivalent EuO6 octahedra, and edges with two equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–73°. There are a spread of Li–O bond distances ranging from 1.92–2.20 Å. Eu3+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with four equivalent EuO6 octahedra, corners with six equivalent LiO4 tetrahedra, edges with four equivalent EuO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Eu–O bond distances ranging from 2.29–2.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Eu3+ atoms to form distorted OLi3Eu3 octahedra that share corners with six equivalent OLiEu3 trigonal pyramids, edges with six equivalent OLi3Eu3 octahedra, and edges with three equivalent OLiEu3 trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Eu3+ atoms to form distorted OLiEu3 trigonal pyramids that share corners with six equivalent OLi3Eu3 octahedra, corners with six equivalent OLiEu3 trigonal pyramids, and edges with three equivalent OLi3Eu3 octahedra. The corner-sharing octahedra tilt angles range from 2–81°.