A model for the structure of the hydrated aluminum phosphate, kingite determined by ab initio powder diffraction methods

Autor: Kia S. Wallwork, Allan Pring, Max R. Taylor, Brett A. Hunter
Rok vydání: 2003
Předmět:
Zdroj: American Mineralogist. 88:235-239
ISSN: 0003-004X
DOI: 10.2138/am-2003-0127
Popis: 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 R Bragg = 0.022 and R wp = 0.039 using the Rietveld method. The triclinic structure was solved and refined in the space group P 1, a = 9.377(1), b = 10.113(1), c = 7.138(1) A, α = 97.60(1), β = 100.88(1), γ = 96.01(1)°, V = 653.0(1) A3 , Z = 2. The structure of kingite contains finite strings of three corner sharing Alϕ6 octahedra (where ϕ 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.
Databáze: OpenAIRE