Materials Data on Cu(AsO2)2 by Materials Project

Abstract

CuAs2O4 crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Cu1+ is bonded to six O2- atoms to form distorted edge-sharing CuO6 octahedra. There are four shorter (1.96 Å) and two longer (2.61 Å) Cu–O bond lengths. As+3.50+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.81 Å) and two longer (1.85 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu1+ and two equivalent As+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+ and one As+3.50+ atom.