Materials Data on CdCu2(SO4)2 by Materials Project

Abstract

Cu2Cd(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.93–2.18 Å. Cd2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.11–2.52 Å. S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.51 Å) and one longer (1.52 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cd2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cu1+, one Cd2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Cu1+, one Cd2+, and one S6+ atom.