Structural study of quasi-one-dimensional vanadium pyroxene LiVSi2O6 single crystals

Abstract Single crystals of quasi-one-dimensional vanadium pyroxene LiVSi 2 O 6 were synthesized and the crystal structures at 293 K and 113 K were studied using X-ray diffraction experiments. We found a structural phase transition from the room-temperature crystal structure with space group C 2/ c to a low-temperature structure with space group P 2 1 / c , resulting from a rotational displacement of SiO 4 tetrahedra. The temperature dependence of magnetic susceptibility shows a broad maximum around 116 K, suggesting an opening of the Haldane gap expected for one-dimensional antiferromagnets with S =1. However, an antiferromagnetic long-range order was developed below 24 K, probably caused by a weak inter-chain magnetic coupling in the compound.