Acta Crystallographica Section B

Structural Science

Volume 59, Part 6 (December 2003)

research papers

Acta Cryst. (2003). B59, 747-752 [ doi:10.1107/S0108768103023437 ]

Low-temperature structure of V₆O₁₃

J. Höwing, T. Gustafsson and J. O. Thomas

Abstract: The structure of the transition metal oxide V₆O₁₃, a potential cathode material in lithium-polymer batteries, has been studied at 95 K using single-crystal X-ray diffraction (XRD). A phase transition has been determined by differential scanning calorimetry (DSC) measurements to occur at 153 K, with a heat of transition of -1.98 kJ mol^-1. In this low-temperature phase, the V and O atoms move by up to 0.21 Å out of the mirror plane they occupy in the room-temperature structure. It is concluded that the earlier reported space group P2₁/a [Kawada et al. (1978). Acta Cryst. B34, 1037-1039] is incorrect and that a more appropriate choice of space group is Pc.

Keywords: vanadium oxide; Li-ion battery; disorder; single-crystal diffraction.


	Structure factor file (CIF format) (461.1 kbytes) Contains datablock STOE_DATA

	Structure factor file (CIF format) (852.9 kbytes) Contains datablock BRUKER_DATA

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