Materials Data on YZnPO by Materials Project

Abstract

YZnPO crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to three equivalent P3- and four equivalent O2- atoms. All Y–P bond lengths are 3.01 Å. There are one shorter (2.27 Å) and three longer (2.32 Å) Y–O bond lengths. Zn2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing ZnP4 tetrahedra. There are three shorter (2.38 Å) and one longer (2.57 Å) Zn–P bond lengths. P3- is bonded in a 7-coordinate geometry to three 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.