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Whitfield, Harold
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article
A simple route to full structural analysis of biophosphates and their application to materials discovery
Abstract
An integrated suite of synthesis and characterisation techniques that includes synchrotron-based single crystal, powder X-Ray diffraction, nuclear magnetic resonance and electron diffraction have been employed to uncover two new distinct structures in the CaxBa2-xP2O7 polymorphic phosphate 10 system. These materials have particular relevance for their application as both biomaterials and phosphors. Calcium Barium Pyrophosphate, CaBaP2O7, was shown by a combination of spectroscopic and diffraction techniques to have two polymorphs distinct in structure from all of the five previously reported polymorphs of Ca, Sr and Ba Pyrophosphate . A high temperature polymorph HT-CaBaP2O7 prepared at 1200 ºC is orthorhombic of space group P212121 with a=13.0494 Å, b=8.9677 Å, c=5.5444 Å. A low temperature polymorph LT-CaBaP2O7, prepared below 1000 ºC, is monoclinic with space group P21/c and dimensions a=12.065 Å, b=10.582 Å, c=9.515 Å, β=94.609°.