Abstract
An integrated software system, REMEDY, has been developed for MEMbased whole-pattern fitting. REMEDY was applied to the determination of the crystal structure and electron densities for KxTi2−x/3Lix/3O4 (x = 0.8). We have successfully revealed the positional disorder of K+ ions between Ti2−x/3Lix/3O4 layers consisting of edge-sharing (Ti, Li)O6 octahedra. Possible incorporation of residual water molecules is also suggested.
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Schedule a callMore From: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals
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