A large-scale lithium-ion battery is the key technology toward a greener society. A lithium iron silicate system is rapidly attracting much attention as the new important developmental platform of cathode material with abundant elements and possible multielectron reactions. The hitherto unsolved crystal structure of the typical composition Li2FeSiO4 has now been determined using high-resolution synchrotron X-ray diffraction and electron diffraction experiments. The structure has a 2 times larger superlattice compared to the previous beta-Li3PO4-based model, and its origin is the periodic modulation of coordination tetrahedra.

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Structure D 2000Structure of Li2FeSiO4. -The title compound is prepared by solid state reaction of Li 2 CO 3 , FeC 2 O 4 , and SiO 2 (Ar flow, 1073 K, 6 h). Its crystal structure is determined by Rietveld refinements of powder HR-XRD data and TEM. Li2FeSiO4 crystallizes in the monoclinic space group P21 with Z = 4. A valid crystal structure of the title compound is a definitive starting point for advanced material design and battery reaction mechanism studies of this important class of cathode materials for lithium batteries. -(NISHIMURA, S.-I.; HAYASE, S.; KANNO, R.; YASHIMA, M.; NAKAYAMA, N.; YAMADA*, A.; J.

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