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Sodium intercalation into then= 2 Ruddlesden?Popper type host Y2Ti2O5S2: synthesis, structure, and properties of ?-NaxY2Ti2O5S2(0

Sodium intercalation into then= 2 Ruddlesden?Popper type host Y2Ti2O5S2: synthesis, structure, and properties of ?-NaxY2Ti2O5S2(0
Sodium intercalation into then= 2 Ruddlesden?Popper type host Y2Ti2O5S2: synthesis, structure, and properties of ?-NaxY2Ti2O5S2(0
Sodium intercalation into the oxide slabs of the cation-deficient n = 2 Ruddlesden-Popper oxysulfide Y2Ti2O5S2 to produce alpha-NaxY2Ti2O5S2 (0 < x less than or equal to 1.0) is reported. These materials have been probed as a function of the amount of intercalated sodium using high-resolution neutron powder diffraction. At all levels of sodium intercalation the tetragonal symmetry of the host is retained, for example: Na0.35(5)Y2Ti2O5S2, I4/mmm, a = 3.80171(2) Angstrom, c = 22.6270(2) Angstrom, Z = 2; Na0.84(2)Y2Ti2O5S2, I4/mmm, a = 3.84429(6) Angstrom, c = 22.5440(4) Angstrom, Z = 2 at 298 K. The sodium ion occupies a site coordinated by twelve oxide ions which corresponds to the "A"-site in the perovskite-like oxide slabs of the structure. At levels of sodium intercalation up to the maximum alpha-Na1.0Y2Ti2O5S2 the cell volume increases approximately linearly with x as electrons enter bands which are antibonding with respect to the Ti-O framework. The effects on the structural details of electrostatic repulsion between the yttrium and intercalated sodium ions is discussed, and these materials are compared with the analogous lithium intercalates. Magnetic susceptibility and electrical resistivity measurements are consistent with delocalization of the intercalated electrons especially for large x. The insertion of lithium into alpha-Na0.5Y2Ti2O5S2 and of magnesium into Y2Ti2O5S2 are also reported.
0897-4756
5065-5072
Clarke, Simon J.
815edb0a-d89a-4770-8a11-3c23066b9b31
Denis, Sophie G.
c7cd6ebe-1568-4bff-9057-f35fd970b773
Rutt, Oliver J.
852530b4-7f33-4ed1-b644-4f3862bfeffe
Hill, Timothy L.
96922dda-e993-4889-a519-5f89fe6ebca8
Hayward, Michael A.
4fa9b0e4-6447-4fec-963b-766a90b3e432
Hyett, Geoffrey
4f292fc9-2198-4b18-99b9-3c74e7dfed8d
Gál, Zoltán A.
afa8d04e-0ac4-449d-a724-ff5a4387347c
Clarke, Simon J.
815edb0a-d89a-4770-8a11-3c23066b9b31
Denis, Sophie G.
c7cd6ebe-1568-4bff-9057-f35fd970b773
Rutt, Oliver J.
852530b4-7f33-4ed1-b644-4f3862bfeffe
Hill, Timothy L.
96922dda-e993-4889-a519-5f89fe6ebca8
Hayward, Michael A.
4fa9b0e4-6447-4fec-963b-766a90b3e432
Hyett, Geoffrey
4f292fc9-2198-4b18-99b9-3c74e7dfed8d
Gál, Zoltán A.
afa8d04e-0ac4-449d-a724-ff5a4387347c

Clarke, Simon J., Denis, Sophie G., Rutt, Oliver J., Hill, Timothy L., Hayward, Michael A., Hyett, Geoffrey and Gál, Zoltán A. (2003) Sodium intercalation into then= 2 Ruddlesden?Popper type host Y2Ti2O5S2: synthesis, structure, and properties of ?-NaxY2Ti2O5S2(0. Chemistry of Materials, 15 (26), 5065-5072. (doi:10.1021/cm034762f).

Record type: Article

Abstract

Sodium intercalation into the oxide slabs of the cation-deficient n = 2 Ruddlesden-Popper oxysulfide Y2Ti2O5S2 to produce alpha-NaxY2Ti2O5S2 (0 < x less than or equal to 1.0) is reported. These materials have been probed as a function of the amount of intercalated sodium using high-resolution neutron powder diffraction. At all levels of sodium intercalation the tetragonal symmetry of the host is retained, for example: Na0.35(5)Y2Ti2O5S2, I4/mmm, a = 3.80171(2) Angstrom, c = 22.6270(2) Angstrom, Z = 2; Na0.84(2)Y2Ti2O5S2, I4/mmm, a = 3.84429(6) Angstrom, c = 22.5440(4) Angstrom, Z = 2 at 298 K. The sodium ion occupies a site coordinated by twelve oxide ions which corresponds to the "A"-site in the perovskite-like oxide slabs of the structure. At levels of sodium intercalation up to the maximum alpha-Na1.0Y2Ti2O5S2 the cell volume increases approximately linearly with x as electrons enter bands which are antibonding with respect to the Ti-O framework. The effects on the structural details of electrostatic repulsion between the yttrium and intercalated sodium ions is discussed, and these materials are compared with the analogous lithium intercalates. Magnetic susceptibility and electrical resistivity measurements are consistent with delocalization of the intercalated electrons especially for large x. The insertion of lithium into alpha-Na0.5Y2Ti2O5S2 and of magnesium into Y2Ti2O5S2 are also reported.

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e-pub ahead of print date: 27 November 2003
Published date: 30 December 2003
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow

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Local EPrints ID: 347003
URI: http://eprints.soton.ac.uk/id/eprint/347003
ISSN: 0897-4756
PURE UUID: 1b8c0bd8-a63c-4ea2-972b-774a8821f536
ORCID for Geoffrey Hyett: ORCID iD orcid.org/0000-0001-9302-9723

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Date deposited: 14 Feb 2013 16:53
Last modified: 08 Jan 2022 03:18

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Contributors

Author: Simon J. Clarke
Author: Sophie G. Denis
Author: Oliver J. Rutt
Author: Timothy L. Hill
Author: Michael A. Hayward
Author: Geoffrey Hyett ORCID iD
Author: Zoltán A. Gál

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