Materials Data on Li3CoO6 by Materials Project

LiLi2CoO4O2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two lithium molecules; four water molecules; and one Li2CoO4 sheet oriented in the (0, 0, 1) direction. In the Li2CoO4 sheet, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.82 Å. Co is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Co–O bond lengths are 1.90 Å. O is bonded in a 2-coordinate geometry to one Li, one Co, and one O atom. The O–O bond length is 1.51 Å.

Li₂CoO₄O₂ 结晶于正交晶系（orthorhombic）的Cmmm空间群。该晶体结构为二维结构，包含两个锂分子、四个水分子，以及一片沿(0, 0, 1)晶向取向的Li₂CoO₄片层。在Li₂CoO₄片层中，Li原子以直线型配位构型与两个等价的O原子成键，Li–O键长均为1.82 Å。Co原子以畸变矩形跷跷板型配位构型与四个等价的O原子成键，所有Co–O键长均为1.90 Å。O原子以二配位构型与一个Li原子、一个Co原子以及另一个O原子成键，O–O键长为1.51 Å。