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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaEuO2 by Materials Project

CaEuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent EuO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ca–O bond lengths are 2.44 Å. Eu2+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with six equivalent CaO6 octahedra, and edges with six equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Eu–O bond lengths are 2.53 Å. O2- is bonded to three equivalent Ca2+ and three equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OCa3Eu3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaEu2O3 by Materials Project

CaEu2O3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with two equivalent CaO6 octahedra, and edges with ten EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with five equivalent CaO6 octahedra, and edges with seven EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Eu–O bond distances ranging from 2.50–2.57 Å. In the second Eu2+ site, Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with five equivalent CaO6 octahedra, and edges with seven EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.51 Å) and two longer (2.55 Å) Eu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaEu2O3 by Materials Project

CaEu2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with two equivalent CaO6 pentagonal pyramids, and edges with ten equivalent EuO6 pentagonal pyramids. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. Eu2+ is bonded to six O2- atoms to form distorted EuO6 pentagonal pyramids that share corners with two equivalent CaO6 pentagonal pyramids, corners with four equivalent EuO6 pentagonal pyramids, edges with five equivalent CaO6 pentagonal pyramids, and edges with seven equivalent EuO6 pentagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.50–2.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Eu2+ atoms to form a mixture of face, edge, and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 46–49°.

36 MATERIALS SCIENCE↗