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American Mineralogist; January 2003; v. 88; no. 1; p. 235-239
© 2003 Mineralogical Society of America
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A model for the structure of the hydrated aluminum phosphate, kingite determined by ab initio powder diffraction methods

Kia S. Wallwork1, Allan Pring1,2,3,*, Max R. Taylor1 and Brett A. Hunter4

1 School of Chemistry, Physics and Earth Sciences, The Flinders University of South Australia, GPO Box 2100 Adelaide, South Australia 5001, Australia
2 Department of Mineralogy, South Australian Museum, North Terrace, Adelaide, South Australia 5000, Australia
3 Department of Geology and Geophysics, Adelaide University, North Terrace, Adelaide, South Australia 5000, Australia
4 Neutron Scattering Group, ANSTO, PMB 1, Menai, New South Wales 2234, Australia

Correspondence: * E-mail: Pring.Allan{at}saugov.sa.gov.au

The crystal structure of kingite, Al3(PO4)2(F,OH)2·8(H2O,OH), a secondary mineral from a Cambrian-Precambrian phosphate deposit at Tom’s Quarry, near Kapunda, South Australia, has been determined from a powder sample using synchrotron X-ray diffraction data. The structure was determined ab initio by direct methods and refined to RBragg = 0.022 and Rwp = 0.039 using the Rietveld method. The triclinic structure was solved and refined in the space group P, a = 9.377(1), b = 10.113(1), c = 7.138(1) Å, {alpha} = 97.60(1), ß = 100.88(1), {gamma} = 96.01(1)°, V = 653.0(1) Å3 , Z = 2. The structure of kingite contains finite strings of three corner sharing Al{phi}6 octahedra (where {phi} represents O, OH–, F–, or H2O). These strings are cross-linked via PO4 tetrahedra to produce layers that are perpendicular to [100]. The layers are linked via hydrogen bonding through H2O located in the interlayer space. Kingite is shown to have a different stoichiometry to that reported earlier. The relationship of kingite to the structures of wavellite, Al3(PO4)2(OH)3·5H2O, and mitryaevaite, Al5(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8·6.48H2O, are briefly discussed.




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