Materials Data on YZnAsO by Materials Project

Abstract

YZnAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Y–As bond lengths are 3.31 Å. All Y–O bond lengths are 2.27 Å. Zn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.57 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.