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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiEu3O4 by Materials Project

LiEu3O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four EuO6 octahedra, corners with two equivalent LiO4 tetrahedra, edges with five EuO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–13°. There are a spread of Li–O bond distances ranging from 1.89–2.07 Å. There are three inequivalent Eu+2.33+ sites. In the first Eu+2.33+ site, Eu+2.33+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with three equivalent EuO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, a cornercorner with one LiO4 tetrahedra, edges with four EuO6 octahedra, edges with four equivalent EuO7 pentagonal bipyramids, and edges with two equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–74°. There are a spread of Eu–O bond distances ranging from 2.36–2.45 Å. In the second Eu+2.33+ site, Eu+2.33+ is bonded to six O2- atoms to form distorted EuO6 octahedra that share corners with three equivalent EuO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, corners with three equivalent LiO4 tetrahedra, edges with six EuO6 octahedra, an edgeedge with one EuO7 pentagonal bipyramid, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–74°. There are a spread of Eu–O bond distances ranging from 2.48–2.61 Å. In the third Eu+2.33+ site, Eu+2.33+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with eight EuO6 octahedra, edges with five EuO6 octahedra, edges with two equivalent EuO7 pentagonal bipyramids, edges with two equivalent LiO4 tetrahedra, and faces with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–76°. There are a spread of Eu–O bond distances ranging from 2.51–2.69 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and five Eu+2.33+ atoms to form distorted OLiEu5 octahedra that share corners with two equivalent OEu5 square pyramids, edges with two equivalent OLiEu5 octahedra, and edges with three equivalent OEu5 square pyramids. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Li1+ and four Eu+2.33+ atoms. In the third O2- site, O2- is bonded to five Eu+2.33+ atoms to form OEu5 square pyramids that share corners with two equivalent OLiEu5 octahedra, edges with three equivalent OLiEu5 octahedra, and edges with four equivalent OEu5 square pyramids. The corner-sharing octahedral tilt angles are 19°. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+ and five Eu+2.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiEuO3 by Materials Project

LiEuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.88 Å. Eu is bonded to twelve equivalent O atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Eu–O bond lengths are 2.66 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Eu atoms.

36 MATERIALS SCIENCE↗