Materials Data on Cu2Te2Cl2O5 by Materials Project

Abstract

Cu2Te2O5Cl2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Cu2+ is bonded in a 4-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.65 Å. The Cu–Cl bond length is 2.24 Å. Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.53 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+ and two equivalent Te4+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.