The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O Minerals and Related Compounds (<i>n</i> = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na<sup>+</sup>-Ion Migration Paths
The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O family of minerals and related compounds (<i>n</i> = 0–0.5; m = 0.1) consist of keldyshite, Na<sub>3</sub>H[Zr<sub>2</sub>...
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doaj-903c5bacfe754f3090fa2fa5e559862a2020-11-25T04:08:03ZengMDPI AGCrystals2073-43522020-11-01101016101610.3390/cryst10111016The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O Minerals and Related Compounds (<i>n</i> = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na<sup>+</sup>-Ion Migration PathsNatalya A. Kabanova0Taras L. Panikorovskii1Vladimir V. Shilovskikh2Natalya S. Vlasenko3Victor N. Yakovenchuk4Sergey M. Aksenov5Vladimir N. Bocharov6Sergey V. Krivovichev7Laboratory of Nature-Inspired Technologies and Environmental Safety of the Arctic, Kola Science Centre, Russian Academy of Sciences, Fersmana str. 14, 184209 Apatity, RussiaLaboratory of Nature-Inspired Technologies and Environmental Safety of the Arctic, Kola Science Centre, Russian Academy of Sciences, Fersmana str. 14, 184209 Apatity, RussiaGeo Environmental Centre “Geomodel”, Saint–Petersburg State University, Ul’yanovskaya Str. 1, 198504 Petersburg, RussiaGeo Environmental Centre “Geomodel”, Saint–Petersburg State University, Ul’yanovskaya Str. 1, 198504 Petersburg, RussiaGeological Institute, Kola Science Centre, Russian Academy of Sciences, Fersmana str. 14, 184209 Apatity, RussiaLaboratory of Nature-Inspired Technologies and Environmental Safety of the Arctic, Kola Science Centre, Russian Academy of Sciences, Fersmana str. 14, 184209 Apatity, RussiaGeo Environmental Centre “Geomodel”, Saint–Petersburg State University, Ul’yanovskaya Str. 1, 198504 Petersburg, RussiaCrystallography Department, Institute of Earth Sciences, St. Petersburg State University, University emb. 7/9, 199034 Petersburg, RussiaThe Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O family of minerals and related compounds (<i>n</i> = 0–0.5; m = 0.1) consist of keldyshite, Na<sub>3</sub>H[Zr<sub>2</sub>(Si<sub>2</sub>O<sub>7</sub>)<sub>2</sub>], and parakeldyshite, Na<sub>2</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)], and synthetic Na<sub>2</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙H<sub>2</sub>O. The crystal structures of these materials are based upon microporous heteropolyhedral frameworks formed by linkage of Si<sub>2</sub>O<sub>7</sub> groups and ZrO<sub>6</sub> octahedra with internal channels occupied by Na<sup>+</sup> cations and H<sub>2</sub>O 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 <b>fsh</b> topology, while Na<sub>2</sub>ZrSi<sub>2</sub>O<sub>7</sub>∙H<sub>2</sub>O is different and has the <b>xat</b> topology. The microporous heteropolyhedral frameworks in these materials have a 2-D system of channels suitable for the Na<sup>+</sup>-ion migration. The crystal structure of keldyshite can be derived from that of parakeldyshite by the Na<sup>+</sup> + O<sup>2−</sup> ↔ OH<sup>−</sup> + □ substitution mechanism, widespread in the postcrystallization processes in hyperagpaitic rocks.https://www.mdpi.com/2073-4352/10/11/1016keldyshiteparakeldyshitecrystal structureion migrationtransformationRaman spectroscopy |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Natalya A. Kabanova Taras L. Panikorovskii Vladimir V. Shilovskikh Natalya S. Vlasenko Victor N. Yakovenchuk Sergey M. Aksenov Vladimir N. Bocharov Sergey V. Krivovichev |
spellingShingle |
Natalya A. Kabanova Taras L. Panikorovskii Vladimir V. Shilovskikh Natalya S. Vlasenko Victor N. Yakovenchuk Sergey M. Aksenov Vladimir N. Bocharov Sergey V. Krivovichev The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O Minerals and Related Compounds (<i>n</i> = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na<sup>+</sup>-Ion Migration Paths Crystals keldyshite parakeldyshite crystal structure ion migration transformation Raman spectroscopy |
author_facet |
Natalya A. Kabanova Taras L. Panikorovskii Vladimir V. Shilovskikh Natalya S. Vlasenko Victor N. Yakovenchuk Sergey M. Aksenov Vladimir N. Bocharov Sergey V. Krivovichev |
author_sort |
Natalya A. Kabanova |
title |
The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O Minerals and Related Compounds (<i>n</i> = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na<sup>+</sup>-Ion Migration Paths |
title_short |
The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O Minerals and Related Compounds (<i>n</i> = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na<sup>+</sup>-Ion Migration Paths |
title_full |
The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O Minerals and Related Compounds (<i>n</i> = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na<sup>+</sup>-Ion Migration Paths |
title_fullStr |
The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O Minerals and Related Compounds (<i>n</i> = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na<sup>+</sup>-Ion Migration Paths |
title_full_unstemmed |
The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O Minerals and Related Compounds (<i>n</i> = 0–0.5; m = 0.1): Structure Refinement, Framework Topology, and Possible Na<sup>+</sup>-Ion Migration Paths |
title_sort |
na<sub>2−n</sub>h<sub>n</sub>[zr(si<sub>2</sub>o<sub>7</sub>)]∙mh<sub>2</sub>o minerals and related compounds (<i>n</i> = 0–0.5; m = 0.1): structure refinement, framework topology, and possible na<sup>+</sup>-ion migration paths |
publisher |
MDPI AG |
series |
Crystals |
issn |
2073-4352 |
publishDate |
2020-11-01 |
description |
The Na<sub>2−n</sub>H<sub>n</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙mH<sub>2</sub>O family of minerals and related compounds (<i>n</i> = 0–0.5; m = 0.1) consist of keldyshite, Na<sub>3</sub>H[Zr<sub>2</sub>(Si<sub>2</sub>O<sub>7</sub>)<sub>2</sub>], and parakeldyshite, Na<sub>2</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)], and synthetic Na<sub>2</sub>[Zr(Si<sub>2</sub>O<sub>7</sub>)]∙H<sub>2</sub>O. The crystal structures of these materials are based upon microporous heteropolyhedral frameworks formed by linkage of Si<sub>2</sub>O<sub>7</sub> groups and ZrO<sub>6</sub> octahedra with internal channels occupied by Na<sup>+</sup> cations and H<sub>2</sub>O 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 <b>fsh</b> topology, while Na<sub>2</sub>ZrSi<sub>2</sub>O<sub>7</sub>∙H<sub>2</sub>O is different and has the <b>xat</b> topology. The microporous heteropolyhedral frameworks in these materials have a 2-D system of channels suitable for the Na<sup>+</sup>-ion migration. The crystal structure of keldyshite can be derived from that of parakeldyshite by the Na<sup>+</sup> + O<sup>2−</sup> ↔ OH<sup>−</sup> + □ substitution mechanism, widespread in the postcrystallization processes in hyperagpaitic rocks. |
topic |
keldyshite parakeldyshite crystal structure ion migration transformation Raman spectroscopy |
url |
https://www.mdpi.com/2073-4352/10/11/1016 |
work_keys_str_mv |
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