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Hole defects in the crystal structure of synthetic lipscombite (Fe 3+4.7 Fe 2+2.3 )[PO4]4O2.7(OH)1.3 and genetic crystal chemistry of minerals of the lipscombite-barbosalite series

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Abstract

The crystal structure of a synthetic analog of the mineral lipscombite (Fe 2+2.3 Fe 3+4.7 )[PO4]4O2.7(OH)1.3 obtained under hydrothermal conditions in the LiF-Fe2O3-(NH4)2HPO4-H2O system is resolved (R = 0.040) by X-ray diffraction analysis (Bruker Smart diffractometer with a highly sensitive CCD detector, MoK α radiation): a = 14.776(3) Å, b = 14.959(3) Å, c = 7.394(1) Å, β = 119.188(4)°, sp. gr. C2/c, Z = 4, ρexp = 3.8 g/cm3, ρcalcd = 3.9 g/cm3. Fe2+ and Fe3+ cations are statistically distributed in each of four crystallographically independent positions, while occupying the corresponding octahedra with probabilities of 60, 90, 100, and 91%. The ratio Fe2+/Fe3+ in the composition of the crystals was established by Mössbauer spectroscopy. Lipscombite is interpreted as a mineral of variable composition described by the formula (Fe 2+x Fe 3+n−x )[PO4]4Oy(OH)4−y . The field of stability is determined as a function of the iron content and the ratio Fe2+/Fe3+. It is shown that at n = 6 iron cations are ordered in octahedra and barbosalite structure is formed. An interpretation of genetically and structurally related members of the lipscombite family within a unified polysomatic series is proposed.

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Authors and Affiliations

  1. Moscow State University, Vorob’evy gory, Moscow, 119992, Russia

    O. V. Yakubovich, V. S. Rusakov & V. S. Urusov

  2. University of Chicago, Chicago, USA

    I. M. Steele

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  1. O. V. Yakubovich
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  2. I. M. Steele
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  3. V. S. Rusakov
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  4. V. S. Urusov
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Original Russian Text © O.V. Yakubovich, I.M. Steele, V.S. Rusakov, V.S. Urusov, 2006, published in Kristallografiya, 2006, Vol. 51, No. 3, pp. 434–444.

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Yakubovich, O.V., Steele, I.M., Rusakov, V.S. et al. Hole defects in the crystal structure of synthetic lipscombite (Fe 3+4.7 Fe 2+2.3 )[PO4]4O2.7(OH)1.3 and genetic crystal chemistry of minerals of the lipscombite-barbosalite series. Crystallogr. Rep. 51, 401–411 (2006). https://doi.org/10.1134/S1063774506030072

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  • DOI: https://doi.org/10.1134/S1063774506030072

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