Materials Data on Li3Mn2(FeO4)2 by Materials Project

Abstract

(LiMnO2)2LiFeO2FeO2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one iron dihydroxide molecule; one LiFeO2 ribbon oriented in the (0, 1, 1) direction; and two LiMnO2 ribbons oriented in the (0, 1, 1) direction. In the LiFeO2 ribbon, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.63 Å. Fe3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.41 Å. O2- is bonded in a distorted linear geometry to one Li1+ and one Fe3+ atom. In each LiMnO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.41 Å. Mn+3.50+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Mn–O bond lengths are 1.66 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one Mn+3.50+ atom.