Materials Data on LiC2S2N(O2F3)2 by Materials Project

Abstract

LiN(CF3SO2)2 crystallizes in the orthorhombic Pccn space group. The structure is one-dimensional and consists of four ammonia molecules; eight fluoroform molecules; and two Li(SO2)2 ribbons oriented in the (0, 1, 0) direction. In each Li(SO2)2 ribbon, Li1+ is bonded in a tetrahedral geometry to four O2- atoms. There are two shorter (1.98 Å) and two longer (2.03 Å) Li–O bond lengths. S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one S2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S2+ atom.