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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BaEuO2 by Materials Project

BaEuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form BaO6 octahedra that share corners with six equivalent EuO6 octahedra, edges with six equivalent BaO6 octahedra, and edges with six equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Ba–O bond lengths are 2.79 Å. Eu2+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent BaO6 octahedra, edges with six equivalent BaO6 octahedra, and edges with six equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Eu–O bond lengths are 2.56 Å. O2- is bonded to three equivalent Ba2+ and three equivalent Eu2+ atoms to form a mixture of corner and edge-sharing OBa3Eu3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaEu2O4 by Materials Project

Eu2BaO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.02 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are a spread of Eu–O bond distances ranging from 2.33–2.44 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–61°. There are two shorter (2.34 Å) and four longer (2.42 Å) Eu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Eu3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Ba2+ and three equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing OBa2Eu3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaEuO3 by Materials Project

BaEuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent EuO6 octahedra. All Ba–O bond lengths are 3.14 Å. Eu is bonded to six equivalent O atoms to form EuO6 octahedra that share corners with six equivalent EuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–O bond lengths are 2.22 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Eu atoms.

36 MATERIALS SCIENCE↗