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 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>...

Full description

Bibliographic Details
Main 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
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Crystals
Subjects:
keldyshite
parakeldyshite
crystal structure
ion migration
transformation
Raman spectroscopy
Online Access:https://www.mdpi.com/2073-4352/10/11/1016
id doaj-903c5bacfe754f3090fa2fa5e559862a
record_format Article
spelling 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 AT natalyaakabanova thenasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT taraslpanikorovskii thenasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT vladimirvshilovskikh thenasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT natalyasvlasenko thenasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT victornyakovenchuk thenasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT sergeymaksenov thenasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT vladimirnbocharov thenasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT sergeyvkrivovichev thenasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT natalyaakabanova nasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT taraslpanikorovskii nasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT vladimirvshilovskikh nasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT natalyasvlasenko nasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT victornyakovenchuk nasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT sergeymaksenov nasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT vladimirnbocharov nasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
AT sergeyvkrivovichev nasub2nsubhsubnsubzrsisub2subosub7submhsub2subomineralsandrelatedcompoundsini005m01structurerefinementframeworktopologyandpossiblenasupsupionmigrationpaths
_version_ 1724426919178403840

Similar Items