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
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ID: 268228
2020
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.
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| Authors | Natalya A. Kabanova;Taras L. Panikorovskii;Vladimir V. Shilovskikh;Natalya S. Vlasenko;Victor N. Yakovenchuk;Sergey M. Aksenov;Vladimir N. Bocharov;Sergey V. Krivovichev;Kabanova, Natalya A.;Panikorovskii, Taras L.;Shilovskikh, Vladimir V.;Vlasenko, Natalya S.;Yakovenchuk, Victor N.;Aksenov, Sergey M.;Bocharov, Vladimir N.;Krivovichev, Sergey V.; |
| Journal | crystals |
| Year | 2020 |
| DOI | 10.3390/cryst10111016 |
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