Materials Data on Dy2SiSeO4 by Materials Project

Abstract

Dy2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Dy–Se bond lengths are 3.04 Å. There are a spread of Dy–O bond distances ranging from 2.35–2.44 Å. In the second Dy3+ site, Dy3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.88 Å) and one longer (2.98 Å) Dy–Se bond lengths. There are a spread of Dy–O bond distances ranging from 2.39–2.54 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Dy3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Dy3+ and one Si4+ atom.