An O;-defect in Na * and CO~-containing apatite powder has been invesfigated with ENDOR after X-irradiation. The powder, synthesized by a hydrolysis of octo-ca[ciurnphosphate (OCP) and NaaCO 3 was dried at 25~ untit eonstant weight was reached. At low temperatures, both 3~p and ~H ENDOR spectra were recorded for different settings of the magnetic field (i.e., when the magnetic field [s swept through the EPR O 3-spectrum). The ENDOR powder spectra were thoroughly analyzed using computer simulations based on the "orientation selection principle". Interact[ons with two types of protons and two types of np nuclei could be resolved. In this way, a detailed model could be established for the O 3-ion in the hydroxyapatite lattiee. The defect is located between two successive vacant hydroxyl sites. The axis eonnecting the two outer oxygen atoms (gy-axis) of the O3-ion is found to be a|ong the hexagonal c-axis of the lattice. The twofo|d axis of the defect ion (gz-axis) is paral[el to the b-axis of the lattiee.
IntroduetionHydroxyapatite, Cat0(PO4)6(OH)2, forros the basic mineral of caleified tissues, such as dental enamel, bone and renal stone. In the past, biological as well as synthetically prepared carbonated apatites have been invesfigated intensively with EPR [1-17]. Afler X-or y-irradiation of these apatites, strong and complex EPR signals were detected in the region around g = 2. Soon it became clear that the observed EPR signals were composite, i.e., they consist of several contributions arising from radicals differing in both tocation (hydroxyl (A-type), phosphate (B-type) or surface site location) and molecular structure (CO3, CO3 3-,