Materials Data on Li3FeO6 by Materials Project
LiLi2FeO4O2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two lithium molecules; four water molecules; and one Li2FeO4 sheet oriented in the (0, 0, 1) direction. In the Li2FeO4 sheet, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.81 Å. Fe is bonded in a square co-planar geometry to four equivalent O atoms. All Fe–O bond lengths are 1.78 Å. O is bonded in a linear geometry to one Li and one Fe atom.
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