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Single crystal structure refinement of one- and two-layer hydrates of sodium fluorohectorite

Title data

Kalo, Hussein ; Milius, Wolfgang ; Breu, Josef:
Single crystal structure refinement of one- and two-layer hydrates of sodium fluorohectorite.
In: RSC Advances. Vol. 2 (13 March 2012) Issue 22 . - pp. 8452-8459.
ISSN 2046-2069
DOI: https://doi.org/10.1039/C2RA20457F

Abstract in another language

Crystal structures of both one- and two-layer hydrates of sodium fluorohectorite were refined against single crystal data for the first time because melt synthesis yielded a sodium fluorohectorite showing little stacking disorder as compared to natural clays. In both hydrate phases, the relative shift of adjacent 2:1 layers is fixed by hydrogen-bonding between water molecules coordinated to interlayer cations and basal oxygen atoms of tetrahedral sheets encompassing the interlayer space. Despite some apparent diffuse scattering, a decent single crystal refinement of the semi-ordered structure of the one-layer hydrate is achieved, revealing structural details of the interlayer spacing for the first time. For the two-layer hydrate the structural model proposed for vermiculites is confirmed but a different ordering pattern of interlayer [Na(H2O)6]+ is suggested. While in the two-layer hydrate sodium cations reside at the centre of the interlayer space, in the one-layer hydrate sodium is displaced from the centre of the interlayer space either towards the upper or towards the lower tetrahedral sheet. This displacement allows for coordination to the hexagonal cavity on one side while the coordination sphere of sodium is completed by three coordinating water molecules on the other side. These three water molecules in turn are involved in hydrogen bonding to the opposite tetrahedral sheet.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Anorganic Chemistry I > Chair Anorganic Chemistry I - Univ.-Prof. Dr. Josef Breu
Research Institutions > Collaborative Research Centers, Research Unit > SFB 840 Von partikulären Nanosystemen zur Mesotechnologie
Research Institutions > Collaborative Research Centers, Research Unit > SFB 840 Von partikulären Nanosystemen zur Mesotechnologie > SFB 840 - TP A 6
Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Anorganic Chemistry I
Research Institutions
Research Institutions > Collaborative Research Centers, Research Unit
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 540 Chemistry
Date Deposited: 21 Mar 2018 14:23
Last Modified: 21 Mar 2018 14:23
URI: https://eref.uni-bayreuth.de/id/eprint/9817