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High-Resolution Structural Study of Zinc Ion Incorporation at the Calcite Cleavage Surface



L Cheng, N Sturchio, Joseph Woicik, K Kemner, P Lyman, Michael Bedzyk


X-ray standing wave triangulation and surface extended X-ray absorption fine structure spectroscopy were used to determine the atomic-scale structure of the Zn2+ ion incorporated at the CaCO3 (1014) surface by adsorption from solution. At about 10% coverage, Zn2+ substitutes for Ca2+ in the surface layer. Relaxation of the in-plane adjacent CO32- ions is shown by the reduced Zn-O nearest-neighbor distance. Relaxation of the Zn2+ ion in the out-of-plane direction is indicated by the displacement of its lattice position from that of the ideal Ca2+. The electrostatic relaxation of the first nearest-neighbor anions and the bonding asymmetry due to surface truncation may fully account for the local buckling lattice structure at the impurity Zn2+ site of the CaCO3 surface.
Surface Science


adsorption, CaCO<sub>3</sub>, calcite, low-index single crystal surfaces, surface structure, X-ray standing waves (XSW)


Cheng, L. , Sturchio, N. , Woicik, J. , Kemner, K. , Lyman, P. and Bedzyk, M. (2021), High-Resolution Structural Study of Zinc Ion Incorporation at the Calcite Cleavage Surface, Surface Science (Accessed December 5, 2023)
Created October 12, 2021