Materials Data on Dy(BrO2)3 by Materials Project

Abstract

Dy(O2Br)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Dy(O2Br)3 sheet oriented in the (0, 1, 0) direction. Dy3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.74 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Dy3+ and one Br3+ atom. The O–Br bond length is 1.77 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a water-like geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a water-like geometry to two O2- atoms.