Crystal structure of spinel-type Li0.64Fe2.15Ge0.21O4

Abstract

Spinel-type Li0.64Fe2.15Ge0.21O4, lithium diiron(III) germanium tetraoxide, has been formed as a by-product during flux growth of an Li–Fe–Ge pyroxene-type material. In the title compound, lithium is ordered on the octahedralBsites, while Ge4+orders onto the tetrahedralAsites, and iron distributes over both the octahedral and tetrahedral sites, and is in the trivalent state as determined from Mössbauer spectroscopy. The oxygen parameteruis 0.2543; thus, the spinel is close to having an ideal cubic closed packing of the O atoms. The title spinel is compared with other Li- and Ge-containing spinels.