The molecular structure of yellow tungsten oxide is generally believed that each tungsten ion with six oxygen ions in close proximity, and each oxygen ion and two tungsten ions are closely adjacent, then each tungsten ion is subneighbour with another one, namely cellular yellow tungsten oxide crystal contains a WO6 octahedron. Oxygen ions are in the surface while tungsten ions in the center.
The structure of yellow tungsten oxide depends on the temperature: it is tetragonal system above 740°C, orthogonal system under 330-740°C, monoclinic system under 17-330°C, triclinic system under-50-17°C. Monoclinic system is the most common.
Molecular structure, or molecular shape, is based on spectroscopic data to describe the three-dimensional arrangement of atoms in the molecule. To a large extent, the molecular structure affects the reactivity, polarity, phase, color, magnetism and biological activity of chemical substances.