A simple route to full structural analysis of biophosphates and their application to materials discovery
AuthorHill, MR; Bastow, TJ; Bourgeois, L; Turner, DR; Seeber, A; McBean, K; Whitfield, HJ
Source TitleDALTON TRANSACTIONS
PublisherROYAL SOC CHEMISTRY
University of Melbourne Author/sHILL, MATTHEW
Document TypeJournal Article
CitationsHill, M. R., Bastow, T. J., Bourgeois, L., Turner, D. R., Seeber, A., McBean, K. & Whitfield, H. J. (2012). A simple route to full structural analysis of biophosphates and their application to materials discovery. DALTON TRANSACTIONS, 41 (18), pp.5497-5501. https://doi.org/10.1039/c2dt00023g.
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C1 - Journal Articles Refereed
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 Ca(x)Ba(2-x)P(2)O(7) polymorphic phosphate system. These materials have particular relevance for their application as both biomaterials and phosphors. Calcium barium pyrophosphate, CaBaP(2)O(7), 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-CaBaP(2)O(7) prepared at 1200 °C is orthorhombic, of space group P(212121) with a = 13.0494 Å, b = 8.9677 Å, c = 5.5444 Å. A low temperature polymorph LT-CaBaP(2)O(7), prepared below 1000 °C, is monoclinic with space group P2(1)/c and dimensions a = 12.065 Å, b = 10.582 Å, c = 9.515 Å, β = 94.609°.
KeywordsTransition Metal Chemistry; Expanding Knowledge in the Chemical Sciences
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