Materials Data on Gd2SeO2 by Materials Project

Gd2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Gd–Se bond lengths are 3.02 Å. There are one shorter (2.32 Å) and three longer (2.33 Å) Gd–O bond lengths. Se2- is bonded to six equivalent Gd3+ atoms to form distorted SeGd6 octahedra that share corners with twelve equivalent OGd4 tetrahedra, edges with six equivalent SeGd6 octahedra, and edges with six equivalent OGd4 tetrahedra. O2- is bonded to four equivalent Gd3+ atoms to form OGd4 tetrahedra that share corners with six equivalent SeGd6 octahedra, corners with six equivalent OGd4 tetrahedra, edges with three equivalent SeGd6 octahedra, and edges with three equivalent OGd4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–48°.