Materials Data on EuSeClO3 by Materials Project

Abstract

EuSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing EuCl2O5 pentagonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.31–2.49 Å. Both Eu–Cl bond lengths are 2.81 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.74 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Eu3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Eu3+ atoms.