Spectroscopic investigation of arsenate and selenate incorporation into hydroxylapatite

Abstract

The mechanism(s) of arsenate and selenate incorporation into hydroxylapatite (HAP) using extended X-ray absorption fine structure (EXAFS) spectroscopy was investigated for As- and Se-doped HAP samples with concentrations between 200 and 2500 ppm. EXAFS data on As and Se K-edges have shown similar local coordination environments and are similar to that of P in HAP, suggesting the substitution of arsenate or selenate tetrahedra on the phosphate sites. EXAFS best-fitting for As-doped samples shows that the first shell is fitted with approximately 4 O atoms at ∼1.68 Å, showing As(V) in tetrahedral coordination, and Se K-edge EXAFS data are characterized by the backscattering contributions an oxygen shell at ∼1.2 Å in the Fourier transform, which can be fit with ∼4 O atoms at ∼1.65 ± 0.01 Å. This is characteristic of Se–O distances in SeO 4 tetrahedron. These findings suggest that arsenate and selenate substitute for phosphate groups with local distortions during the incorporation of these metals into the structure of HAP.