Materials Data on GdCuAs2 by Materials Project

Abstract

GdCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (2.97 Å) and four longer (3.07 Å) Gd–As bond lengths. Cu1+ is bonded to four equivalent As2- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.51 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent As2- atoms. All As–As bond lengths are 2.78 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent Cu1+ atoms.