251. Location of type B carbonate ion in type A–B carbonate apatite synthesized at high pressure
- Author
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Fleet, Michael E. and Liu, Xiaoyang
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CARBONATES , *HIGH pressure (Science) , *APATITE , *X-ray diffraction - Abstract
The structure of a complex, disordered type A–B carbonate apatite (CAp) of approximate composition
Ca10(PO4)6-y(CO3)x+(3/2)y(OH)2-2x , x–0.7, y–0.6, synthesized at 3 GPa, 1400°C has been determined using single-crystal X-ray diffraction and FTIR spectroscopy at room temperature and pressure. Crystal data are: hexagonal, space groupP63/m ,Z=1 ;a=9.5143(3) ,c=6.8821(2) Å,V=539.5 Å3, andR=0.025 . There are three structural locations for the carbonate ion. The channel carbonate is mainly in the closed vertical configuration of theP&3macr; structure, with two of its oxygen atoms close to the c-axis (A1 carbonate; IR bands at 1541 and 1449 cm-1), but subordinate amounts are also located in an open vertical configuration (A2 carbonate; IR bands at 1563 and 1506 cm-1). The type B carbonate ion is located close to the sloping faces of the PO4 tetrahedron (IR bands at 1474 and 1406 cm-1), confirming earlier inferences from polarized IR spectra. [Copyright &y& Elsevier]- Published
- 2004
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