The Na2−nHn[Zr(Si2O7)]∙mH2O Minerals and Related Compounds (n = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na+-Ion Migration Paths
The Na2−nHn[Zr(Si2O7)]∙mH2O family of minerals and related compounds (n = 0–0.5; m = 0.1) consist of keldyshite, Na3H[Zr2(Si2O7)2], and parakeldyshite, Na2[Zr(Si2O7)], and synthetic Na2[Zr(Si2O7)]∙H2O. The crystal structures of these materials are based upon microporous heteropolyhedral frameworks formed by linkage of Si2O7 groups and ZrO6 octahedra with internal channels occupied by Na+ cations and H2O molecules. The members of the family have been studied by the combination of theoretical (geometrical–topological analysis, Voronoi migration map calculation, structural complexity calculation), and empirical methods (single-crystal X-ray diffraction, microprobe analysis, and Raman spectroscopy for parakeldyshite). It was found that keldyshite and parakeldyshite have the same fsh topology, while Na2ZrSi2O7∙H2O is different and has the xat topology. The microporous heteropolyhedral frameworks in these materials have a 2-D system of channels suitable for the Na+-ion migration. The crystal structure of keldyshite can be derived from that of parakeldyshite by the Na+ + O2− ↔ OH− + □ substitution mechanism, widespread in the postcrystallization processes in hyperagpaitic rocks.
Citations by journals
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Journal of Structural Chemistry
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Journal of Structural Chemistry
2 publications, 33.33%
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Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
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Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
1 publication, 16.67%
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European Journal of Mineralogy
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European Journal of Mineralogy
1 publication, 16.67%
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Mineralogical Magazine
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Mineralogical Magazine
1 publication, 16.67%
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Minerals
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Minerals
1 publication, 16.67%
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Pleiades Publishing
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Pleiades Publishing
2 publications, 33.33%
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International Union of Crystallography (IUCr)
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International Union of Crystallography (IUCr)
1 publication, 16.67%
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Copernicus
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Copernicus
1 publication, 16.67%
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Mineralogical Society
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Mineralogical Society
1 publication, 16.67%
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Multidisciplinary Digital Publishing Institute (MDPI)
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Multidisciplinary Digital Publishing Institute (MDPI)
1 publication, 16.67%
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