ChemInform Abstract: Solving the Structure of Li Ion Battery Materials with Precession Electron Diffraction: Application to Li₂CoPO₄F.

Abstract

Li2CoPO4F. -The crystal structure of Li2CoPO4F is completely solved from precession electron diffraction data, including the location of the Li atoms. The compound crystallizes in the orthorhombic the space group Pnma with Z = 8. The structure contains infinite chains of edge-sharing CoO4F2 octahedra which are connected to a three-dimensional framework by PO 4 tetrahedra. The chains and phosphate anions delimit tunnels in which the Li atoms are located. -(HADERMANN*, J.; ABAKUMOV, A. M.; TURNER, S.; HAFIDEDDINE, Z.; KHASANOVA, N. R.; ANTIPOV, E. V.; VAN TENDELOO, G.; Chem. Mater. 23 (2011) 15, 3540-3545, http://dx.

Chemical and Electrochemical Lithiation of LiVOPO4 Cathodes for Lithium-Ion Batteries

“…Examples of Li-ion battery related materials include LiMOPO 4 (M = V, Ti), LiMPO 4 F (M = V, Fe, Ti), and LiMSO 4 F (M = Fe, Mn, Co, Ni), with several other possibilities known or suggested on the basis of computational results . Furthermore, structures have been reported for Li 2 VPO 4 F and Li 2 FePO 4 F prepared through ion exchange from Na 2 FePO 4 F and for isostructural Li 2 CoPO 4 F and Li 2 NiPO 4 F . Generally, these single and doubly lithiated compounds contain corner-sharing chains of octahedrally coordinated vanadium cations that are connected via PO 4 tetrahedra to four neighboring chains, as shown in Supporting Information Figure S4a–d.…”