Materials Data on Nd2SeO2 by Materials Project

Nd2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Nd–Se bond lengths are 3.09 Å. There are one shorter (2.38 Å) and three longer (2.40 Å) Nd–O bond lengths. Se2- is bonded to six equivalent Nd3+ atoms to form distorted SeNd6 octahedra that share corners with twelve equivalent ONd4 tetrahedra, edges with six equivalent SeNd6 octahedra, and edges with six equivalent ONd4 tetrahedra. O2- is bonded to four equivalent Nd3+ atoms to form ONd4 tetrahedra that share corners with six equivalent SeNd6 octahedra, corners with six equivalent ONd4 tetrahedra, edges with three equivalent SeNd6 octahedra, and edges with three equivalent ONd4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–49°.