The structure of the lithium-rich garnets li6la2m2o12 and li6.4sr1.4la1.6m2o12 (m = sb, ta)

M.P. O'Callaghan, E.J. Cussen

Research output: Contribution to journalArticle

38 Citations (Scopus)

Abstract

Lithium garnets of the composition Li6SrLa2M2O12 and Li6.4Sr1.4La1.6M2O12 (M = Sb, Ta) have been prepared by solid state methods. Stuctural refinement against neutron powder diffraction data shows that these compounds crystallise in the space group Ia (3) over bard with lattice parameters in the range a = 12.85750(14) angstrom for Li6SrLa2Ta2O12 to 12.91371(13) angstrom for Li6.4Sr1.4La1.6Sb2O12. The observed increase in lattice parameter between M = Ta and Sb in both the Li6SrLa2M2O12 and Li6.4Sr1.4La1.6M2O12 compounds arises as a result of the different polarisabilities of these two cations. These phases contain a disordered arrangement of Sr2+/La3+ in eightfold coordination and Ta/Sb in fully-occupied oxide octahedra. All compounds contain lithium in a mixture of partially occupied tetrahedral and octahedral interstices with considerable positional disorder observed in the latter. Increasing the lithium stoichiometry causes a reduction in the occupation of the tetrahedrally-coordinated sites and a simultaneous increase in the concentration of lithium found within the oxide octahedra.
LanguageEnglish
Pages390-395
Number of pages6
JournalSolid State Sciences
Volume10
Issue number4
DOIs
Publication statusPublished - Apr 2008

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Garnets
Lithium
garnets
lithium
Oxides
Lattice constants
lattice parameters
Lithium compounds
lithium compounds
interstices
Neutron powder diffraction
oxides
Stoichiometry
occupation
Cations
stoichiometry
Positive ions
disorders
solid state
cations

Keywords

  • metal oxides
  • garnet
  • neutron diffraction
  • lithium-ion conductors
  • neutron-diffraction
  • ion conduction

Cite this

O'Callaghan, M.P. ; Cussen, E.J. / The structure of the lithium-rich garnets li6la2m2o12 and li6.4sr1.4la1.6m2o12 (m = sb, ta). In: Solid State Sciences. 2008 ; Vol. 10, No. 4. pp. 390-395.
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abstract = "Lithium garnets of the composition Li6SrLa2M2O12 and Li6.4Sr1.4La1.6M2O12 (M = Sb, Ta) have been prepared by solid state methods. Stuctural refinement against neutron powder diffraction data shows that these compounds crystallise in the space group Ia (3) over bard with lattice parameters in the range a = 12.85750(14) angstrom for Li6SrLa2Ta2O12 to 12.91371(13) angstrom for Li6.4Sr1.4La1.6Sb2O12. The observed increase in lattice parameter between M = Ta and Sb in both the Li6SrLa2M2O12 and Li6.4Sr1.4La1.6M2O12 compounds arises as a result of the different polarisabilities of these two cations. These phases contain a disordered arrangement of Sr2+/La3+ in eightfold coordination and Ta/Sb in fully-occupied oxide octahedra. All compounds contain lithium in a mixture of partially occupied tetrahedral and octahedral interstices with considerable positional disorder observed in the latter. Increasing the lithium stoichiometry causes a reduction in the occupation of the tetrahedrally-coordinated sites and a simultaneous increase in the concentration of lithium found within the oxide octahedra.",
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The structure of the lithium-rich garnets li6la2m2o12 and li6.4sr1.4la1.6m2o12 (m = sb, ta). / O'Callaghan, M.P.; Cussen, E.J.

In: Solid State Sciences, Vol. 10, No. 4, 04.2008, p. 390-395.

Research output: Contribution to journalArticle

TY - JOUR

T1 - The structure of the lithium-rich garnets li6la2m2o12 and li6.4sr1.4la1.6m2o12 (m = sb, ta)

AU - O'Callaghan, M.P.

AU - Cussen, E.J.

PY - 2008/4

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N2 - Lithium garnets of the composition Li6SrLa2M2O12 and Li6.4Sr1.4La1.6M2O12 (M = Sb, Ta) have been prepared by solid state methods. Stuctural refinement against neutron powder diffraction data shows that these compounds crystallise in the space group Ia (3) over bard with lattice parameters in the range a = 12.85750(14) angstrom for Li6SrLa2Ta2O12 to 12.91371(13) angstrom for Li6.4Sr1.4La1.6Sb2O12. The observed increase in lattice parameter between M = Ta and Sb in both the Li6SrLa2M2O12 and Li6.4Sr1.4La1.6M2O12 compounds arises as a result of the different polarisabilities of these two cations. These phases contain a disordered arrangement of Sr2+/La3+ in eightfold coordination and Ta/Sb in fully-occupied oxide octahedra. All compounds contain lithium in a mixture of partially occupied tetrahedral and octahedral interstices with considerable positional disorder observed in the latter. Increasing the lithium stoichiometry causes a reduction in the occupation of the tetrahedrally-coordinated sites and a simultaneous increase in the concentration of lithium found within the oxide octahedra.

AB - Lithium garnets of the composition Li6SrLa2M2O12 and Li6.4Sr1.4La1.6M2O12 (M = Sb, Ta) have been prepared by solid state methods. Stuctural refinement against neutron powder diffraction data shows that these compounds crystallise in the space group Ia (3) over bard with lattice parameters in the range a = 12.85750(14) angstrom for Li6SrLa2Ta2O12 to 12.91371(13) angstrom for Li6.4Sr1.4La1.6Sb2O12. The observed increase in lattice parameter between M = Ta and Sb in both the Li6SrLa2M2O12 and Li6.4Sr1.4La1.6M2O12 compounds arises as a result of the different polarisabilities of these two cations. These phases contain a disordered arrangement of Sr2+/La3+ in eightfold coordination and Ta/Sb in fully-occupied oxide octahedra. All compounds contain lithium in a mixture of partially occupied tetrahedral and octahedral interstices with considerable positional disorder observed in the latter. Increasing the lithium stoichiometry causes a reduction in the occupation of the tetrahedrally-coordinated sites and a simultaneous increase in the concentration of lithium found within the oxide octahedra.

KW - metal oxides

KW - garnet

KW - neutron diffraction

KW - lithium-ion conductors

KW - neutron-diffraction

KW - ion conduction

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