Low-temperature structure of V6O13

• Published in: Acta crystallographica. Section B, Structural science Vol. 59; no. 6; pp. 747 - 752
• Main Authors: Höwing, Jonas, Gustafsson, Torbjörn, Thomas, John O.
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.12.2003; Blackwell
• Subjects: Chemistry; Condensed matter: structure, mechanical and thermal properties; disorder; Electrochemistry; Electrochemistry and electrophoresis; Electrodes: preparations and properties; Exact sciences and technology; General and physical chemistry; Inorganic compounds; Ion selective electrodes; Li-ion battery; Physics; single-crystal diffraction; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; vanadium oxide; Water, oxides, hydroxides, peroxides; Vanadium oxides; Inorganic compounds; Phase transformations; Transition element compounds; Transition heat; XRD; Electrode material; Experimental study; Temperature effects; Displacive transformations; Temperature range 65-273 K; Thermodynamic properties; Low temperature; Crystal structure
• ISSN: 0108-7681; 1600-5740
• DOI: 10.1107/S0108768103023437

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.