Materials Data on Pr2SeO2 by Materials Project

Abstract

Pr2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Pr–Se bond lengths are 3.11 Å. There are one shorter (2.40 Å) and three longer (2.42 Å) Pr–O bond lengths. Se2- is bonded to six equivalent Pr3+ atoms to form distorted SePr6 octahedra that share corners with twelve equivalent OPr4 tetrahedra, edges with six equivalent SePr6 octahedra, and edges with six equivalent OPr4 tetrahedra. O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with six equivalent SePr6 octahedra, corners with six equivalent OPr4 tetrahedra, edges with three equivalent SePr6 octahedra, and edges with three equivalent OPr4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–49°.