Materials Data on Dy2S2O by Materials Project

Abstract

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.