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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy2SO2 by Materials Project

Dy2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Dy–S bond lengths are 2.89 Å. There are three shorter (2.28 Å) and one longer (2.30 Å) Dy–O bond lengths. S2- is bonded to six equivalent Dy3+ atoms to form distorted SDy6 octahedra that share corners with twelve equivalent ODy4 tetrahedra, edges with six equivalent SDy6 octahedra, and edges with six equivalent ODy4 tetrahedra. O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with six equivalent SDy6 octahedra, corners with six equivalent ODy4 tetrahedra, edges with three equivalent SDy6 octahedra, and edges with three equivalent ODy4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2SO2 by Materials Project

Dy2O2S crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy3+ is bonded in a 4-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Dy–S bond lengths are 2.90 Å. There are three shorter (2.27 Å) and one longer (2.31 Å) Dy–O bond lengths. S2- is bonded in a 6-coordinate geometry to six equivalent Dy3+ atoms. O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2S2O by Materials Project

Dy2S2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to five S2- and one O2- atom to form a mixture of distorted edge and corner-sharing DyS5O octahedra. The corner-sharing octahedral tilt angles are 64°. There are a spread of Dy–S bond distances ranging from 2.71–2.80 Å. The Dy–O bond length is 2.22 Å. In the second Dy3+ site, Dy3+ is bonded in a 3-coordinate geometry to five S2- and three equivalent O2- atoms. There are a spread of Dy–S bond distances ranging from 2.90–3.11 Å. There are two shorter (2.27 Å) and one longer (2.28 Å) Dy–O bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to five Dy3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2S2O by Materials Project

Dy2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Dy–S bond distances ranging from 2.74–2.95 Å. The Dy–O bond length is 2.26 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to three S2- and three equivalent O2- atoms. There are a spread of Dy–S bond distances ranging from 2.78–2.95 Å. There are two shorter (2.26 Å) and one longer (2.29 Å) Dy–O bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Dy3+ atoms. O2- is bonded to four Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.

36 MATERIALS SCIENCE↗