Materials Data on LiC2O5 by Materials Project

LiCO3CO2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one carbon dioxide molecule and one LiCO3 ribbon oriented in the (1, 0, 0) direction. In the LiCO3 ribbon, Li is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (1.86 Å) and one longer (2.51 Å) Li–O bond lengths. C is bonded in a linear geometry to two O atoms. Both C–O bond lengths are 1.18 Å. There are three inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Li atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Li and one C atom. In the third O site, O is bonded in a single-bond geometry to one C atom.