Materials Data on NaFe(SO)2 by Materials Project

NaFe(SO)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two NaFe(SO)2 sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a see-saw-like geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.34 Å. Fe3+ is bonded to four equivalent S atoms to form edge-sharing FeS4 tetrahedra. There are two shorter (2.35 Å) and two longer (2.38 Å) Fe–S bond lengths. S is bonded in a 3-coordinate geometry to two equivalent Fe3+ and one O2- atom. The S–O bond length is 1.56 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one S atom.