Abstract
Low-OH apatite of the compositional range Ca4.99-5.06(PO4)2.98-3.00F0.51-0.48Cl0.38-0.36OH0.14-0.12 was syn- thesized and characterized structurally by synchrotron-based single-crystal X-ray diffraction (XRD), and multiple nuclear magnetic resonance (NMR) spectroscopic techniques. The average structure is hexagonal with space group P63/m. The presence of scattering in the single-crystal diffraction data set, which is incommensurate within the average hexagonal structure, suggests the presence of localized short-range monoclinic domains. Complex lineshapes in the 31 P and 19 F MAS NMR spectra are also consistent with the presence of an incommensurate phase. No evidence was detected for splitting of the Ca2 site into two distinct sites (as had been previously reported for hexagonal ternary apatites). Structure refinement and 19 F{ 35
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