These files contain optimized geometries for various O-related species on three naturally-occurring SnO2 surfaces in CIF format.

- All O2 configurations are stable in 1- charged state (superoxide ions). 
- T- and B-type denote O adsorption configurations in the "top" and "bridge" geometries, respectively. All these are referred to as "lattice-like" species due to their geometry resembling bonding in bulk SnO2. These configurations are stable in 1- state for all except T-type@(100) surface, which is stable in 2- charge state instead. 
- L- and S-type denote O adsorption configurations in the "link" and "side" geometries, respectively. All these are referred to as "peroxide-like" species because O adatoms form peroxide O-O bonds in all cases. These configurations are stable in neutral state.

See original study for details.