Materials Data on Sr2CuSeO2 by Materials Project
Sr2CuSeO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Sr–Se bond lengths are 3.32 Å. All Sr–O bond lengths are 2.60 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Sr2+ atoms. O2- is bonded to four equivalent Sr2+ and two equivalent Cu2+ atoms to form a mixture of face, edge, and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.