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DOE OSTI2020

Materials Data on Eu2SO2 by Materials Project

Eu2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Eu–S bond lengths are 2.97 Å. There are three shorter (2.34 Å) and one longer (2.39 Å) Eu–O bond lengths. S2- is bonded to six equivalent Eu3+ atoms to form distorted SEu6 octahedra that share corners with twelve equivalent OEu4 tetrahedra, edges with six equivalent SEu6 octahedra, and edges with six equivalent OEu4 tetrahedra. O2- is bonded to four equivalent Eu3+ atoms to form OEu4 tetrahedra that share corners with six equivalent SEu6 octahedra, corners with six equivalent OEu4 tetrahedra, edges with three equivalent SEu6 octahedra, and edges with three equivalent OEu4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2SO6 by Materials Project

Eu2O2SO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.79 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu3+ atoms to form a mixture of distorted corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Eu3+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Eu3+ and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuSO4 by Materials Project

EuSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Eu–O bond distances ranging from 2.53–3.03 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Eu2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Eu2+ and one S6+ atom.

36 MATERIALS SCIENCE↗