Materials Data on Dy2Cu(SO6)2 by Materials Project

Abstract

Dy2Cu(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.32–2.53 Å. Cu is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.81 Å) and two longer (1.85 Å) Cu–O bond length. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.44–1.54 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy and one Cu atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Dy and one Cu atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Dy and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Dy and one S atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Dy and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom.