Geometric structure of TiO2(110)(1x1):: Achieving experimental consensus

Surface x-ray diffraction has been employed to elucidate the surface structure of TiO2(110)(1 x 1). The atomic coordinates emerging from this study are in excellent agreement with those derived in other recent quantitative structure determinations of this surface. Most importantly, debate over the relaxation of the surface bridging oxygen has been resolved. In a previous surface x-ray diffraction study, it was concluded that this atom relaxes toward the bulk by 0.27 +/- 0.08 angstrom, whereas in this present work we determined this displacement to be 0.10 +/- 0.04 angstrom away from the bulk, which is in accord with the results of other experimental techniques.