The predominance of the rutile phase of SnO2 : First principles study

► SnO2 is only known in rutile structure while TiO2 has different forms. ► DFT equations of state confirm ground state rutile for SnO2 and anatase TiO2. ► Different chemical behavior of Sn(p-metal)/Ti(d-metal) in chemical bonding versus O. ► Bonding results related with more covalent SnO2 than TiO2 and more distorted anatase.