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Hydrogen bonding in goldichite, KFe(SO4)2⋅4H2O: structure refinement

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An Erratum to this article was published on 21 July 2017

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Abstract

The crystal structure of goldichite KFe(SO4)2⋅4H2O was determined on a single crystal from the Baiyinchang copper deposit, Gansu, China. [P121/c1, a = 10.395(2), b = 10.475(2), c = 9.0875(18) Å, β = 101.65(3)°, V = 969.1(3) Å3, Z = 4]. All non-H atoms were refined with anisotropic displacement parameters and positions of H-atoms were determined by difference Fourier methods and refined from X-ray diffraction data. The crystal structure of goldichite consists of corrugated sheets parallel to the (100) plane by sharing corners between FeO6 octahedra and SO4 tetrahedra. The interstitial potassium atom exhibits a [KO7(H2O)2] nine-fold coordination, which shares edges to form a column parallel to the c-axis and to build a slab with the corrugated sheet. These slabs are linked in the [100] direction through a network of hydrogen bonds. Three types of hydrogen bonds involve links of slabs: Ow(3)-H(3B)···O(1), Ow(6)-H(6B)···O(11) and Ow(9)-H(9B)···O(11). The FTIR spectrum of goldichite shows a strong absorption between ~3384 cm−1 and ~3592 cm−1, which is in accordance with the O-H···O distances derived from structure data.

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  • 21 July 2017

    An erratum to this article has been published.

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Acknowledgements

The authors acknowledge the help of Dr. Hao Xiang and Liang Tongling with the single-crystal structure measurement. We would like to thank Prof. Anton Beran for his comments and two anonymous reviewers for helpful remarks. The project was supported by the National Natural Science Foundation of China (No. 41272063).

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Correspondence to Gerald Giester.

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Editorial handling: M. A.T.M. Broekmans

The original version of this article was revised: During the steps of corrections, the title went wrong. The corrected title is shown above.

An erratum to this article is available at https://doi.org/10.1007/s00710-017-0529-8.

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Yang, Z., Giester, G. Hydrogen bonding in goldichite, KFe(SO4)2⋅4H2O: structure refinement. Miner Petrol 112, 135–142 (2018). https://doi.org/10.1007/s00710-017-0524-0

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