Materials Data on Dy3SbO3 by Materials Project

Abstract

Dy3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four O2- atoms. There are two shorter (3.37 Å) and two longer (3.42 Å) Dy–Sb bond lengths. There are a spread of Dy–O bond distances ranging from 2.25–2.68 Å. In the second Dy3+ site, Dy3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Dy–Sb bond lengths are 3.24 Å. There are a spread of Dy–O bond distances ranging from 2.20–2.30 Å. In the third Dy3+ site, Dy3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Dy–Sb bond lengths are 3.19 Å. There are a spread of Dy–O bond distances ranging from 2.22–2.42 Å. Sb3- is bonded in a body-centered cubic geometry to eight Dy3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of distorted corner and edge-sharing ODy4 trigonal pyramids. In the second O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 trigonal pyramids. In the third O2- site, O2- is bonded to four Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra.