Spontaneous formation of vanadium "molecules" in a geometrically frustrated crystal: AlV2O4

Phys Rev Lett. 2006 Mar 3;96(8):086406. doi: 10.1103/PhysRevLett.96.086406. Epub 2006 Mar 3.

Abstract

We investigated the charge-ordered (CO) state in spinel AlV2O4 by electron diffraction, synchrotron x-ray diffraction, and magnetic measurements. It was found that the CO structure appearing below 700 K is characterized by the formation of V clusters (heptamers), each of which is consisting of 7 vanadium atoms and is in a spin-singlet state as a total. Theoretical consideration indicates that this unique molecularlike V heptamer is stabilized by a strong bonding of vanadium t(2g) orbitals.