The effect of caesium on barium hollandites studied by neutron diffraction and magic-angle spinning (MAS) nuclear magnetic resonance

Karl R. Whittle; Sharon E. Ashbrook; Gregory R. Lumpkin; Ian Farnan; Ronald I. Smith; Simon A. T. Redfern

doi:10.1007/s10853-007-1815-3

The effect of caesium on barium hollandites studied by neutron diffraction and magic-angle spinning (MAS) nuclear magnetic resonance

Karl R. Whittle, Sharon E. Ashbrook, Gregory R. Lumpkin, Ian Farnan, Ronald I. Smith, Simon A. T. Redfern

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

Abstract

The structural effects of incorporating Cs into the monoclinic and tetragonal hollandites Ba1.2-x Cs (x) Mg1.2-x/2Ti6.8+x/2O16 and Ba1.2-x Cs (x) Al2.4-x Ti5.6+x O-16 have been studied using powder neutron diffraction and Cs-133 and Al-27 MAS NMR. Addition of Cs to the monoclinic structure induces a 'shear-type collapse', in agreement with previously published results. NMR spectra show that the addition of Cs does not change the local structure around the Al cations within the tunnel walls. An algorithm is given that allows a prediction of unit cell parameters to be made for tetragonal hollandites containing barium.

Original language	English
Pages (from-to)	9379-9391
Number of pages	13
Journal	Journal of Materials Science
Volume	42
Issue number	22
DOIs	https://doi.org/10.1007/s10853-007-1815-3
Publication status	Published - Nov 2007

Keywords

MULTIPLE-QUANTUM MAS
EFFECTIVE IONIC-RADII
STRUCTURAL-ANALYSIS
QUADRUPOLAR NUCLEI
NMR-SPECTRA
PHASE
SUBSTITUTION
POTASSIUM
STATE
PURE

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10.1007/s10853-007-1815-3

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title = "The effect of caesium on barium hollandites studied by neutron diffraction and magic-angle spinning (MAS) nuclear magnetic resonance",

abstract = "The structural effects of incorporating Cs into the monoclinic and tetragonal hollandites Ba1.2-x Cs (x) Mg1.2-x/2Ti6.8+x/2O16 and Ba1.2-x Cs (x) Al2.4-x Ti5.6+x O-16 have been studied using powder neutron diffraction and Cs-133 and Al-27 MAS NMR. Addition of Cs to the monoclinic structure induces a 'shear-type collapse', in agreement with previously published results. NMR spectra show that the addition of Cs does not change the local structure around the Al cations within the tunnel walls. An algorithm is given that allows a prediction of unit cell parameters to be made for tetragonal hollandites containing barium.",

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author = "Whittle, {Karl R.} and Ashbrook, {Sharon E.} and Lumpkin, {Gregory R.} and Ian Farnan and Smith, {Ronald I.} and Redfern, {Simon A. T.}",

year = "2007",

month = nov,

doi = "10.1007/s10853-007-1815-3",

language = "English",

volume = "42",

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T1 - The effect of caesium on barium hollandites studied by neutron diffraction and magic-angle spinning (MAS) nuclear magnetic resonance

AU - Whittle, Karl R.

AU - Ashbrook, Sharon E.

AU - Lumpkin, Gregory R.

AU - Farnan, Ian

AU - Smith, Ronald I.

AU - Redfern, Simon A. T.

PY - 2007/11

Y1 - 2007/11

N2 - The structural effects of incorporating Cs into the monoclinic and tetragonal hollandites Ba1.2-x Cs (x) Mg1.2-x/2Ti6.8+x/2O16 and Ba1.2-x Cs (x) Al2.4-x Ti5.6+x O-16 have been studied using powder neutron diffraction and Cs-133 and Al-27 MAS NMR. Addition of Cs to the monoclinic structure induces a 'shear-type collapse', in agreement with previously published results. NMR spectra show that the addition of Cs does not change the local structure around the Al cations within the tunnel walls. An algorithm is given that allows a prediction of unit cell parameters to be made for tetragonal hollandites containing barium.

AB - The structural effects of incorporating Cs into the monoclinic and tetragonal hollandites Ba1.2-x Cs (x) Mg1.2-x/2Ti6.8+x/2O16 and Ba1.2-x Cs (x) Al2.4-x Ti5.6+x O-16 have been studied using powder neutron diffraction and Cs-133 and Al-27 MAS NMR. Addition of Cs to the monoclinic structure induces a 'shear-type collapse', in agreement with previously published results. NMR spectra show that the addition of Cs does not change the local structure around the Al cations within the tunnel walls. An algorithm is given that allows a prediction of unit cell parameters to be made for tetragonal hollandites containing barium.

KW - MULTIPLE-QUANTUM MAS

KW - EFFECTIVE IONIC-RADII

KW - STRUCTURAL-ANALYSIS

KW - QUADRUPOLAR NUCLEI

KW - NMR-SPECTRA

KW - PHASE

KW - SUBSTITUTION

KW - POTASSIUM

KW - STATE

KW - PURE

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DO - 10.1007/s10853-007-1815-3

M3 - Article

SN - 0022-2461

VL - 42

SP - 9379

EP - 9391

JO - Journal of Materials Science

JF - Journal of Materials Science

IS - 22

ER -

The effect of caesium on barium hollandites studied by neutron diffraction and magic-angle spinning (MAS) nuclear magnetic resonance

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Keywords

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