A simple route to full structural analysis of biophosphates and their application to materials discovery
2012; Royal Society of Chemistry; Volume: 41; Issue: 18 Linguagem: Inglês
10.1039/c2dt00023g
ISSN1477-9234
AutoresMatthew R. Hill, T.J. Bastow, Laure Bourgeois, David R. Turner, Aaron Seeber, Katie E. McBean, H. J. Whitfield,
Tópico(s)Inorganic Chemistry and Materials
ResumoAn 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 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 °C 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 °C, is monoclinic with space group P21/c and dimensions a = 12.065 Å, b = 10.582 Å, c = 9.515 Å, β = 94.609°.
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