Materials Data on SmCuSeF by Materials Project

Abstract

SmCuSeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Sm–Se bond lengths are 2.95 Å. All Sm–F bond lengths are 2.51 Å. Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.67 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Sm2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Sm2+ atoms to form a mixture of distorted edge and corner-sharing FSm4 tetrahedra.