Materials Data on ZrCuGeAs by Materials Project

Abstract

ZrCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Zr–Ge bond lengths are 2.88 Å. All Zr–As bond lengths are 2.81 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted corner and edge-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.65 Å. As is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Cu atoms.