Structure Refinement of Li4Mn5O12with Neutron and X-Ray Powder Diffraction Data

Toshimi Takada, Etsuo Akiba, Fujio Izumi, Bryan C. Chakoumakos

Research output: Contribution to journalArticle

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Abstract

Well-crystallized Li4Mn5O12powder was prepared by heating a eutectic mixture of lithium acetate LiOAc and manganese nitrate Mn(NO3)2in an O2atmosphere. The structure of Li4Mn5O12crystallites was found to be cubic spinel using Rietveld refinement of both neutron and X-ray powder diffraction profiles. We confirmed that lithium ions occupy both the tetrahedral sites 8aand part of the octahedral sites 16d, but not the 16csites in the space groupFd3m, while all the manganese ions occupy the 16dsites. The lattice parameter was found to be sensitive to synthesis temperature as a result of the variation in manganese valence. The presence of Mn3+leads to the formation of a stoichiometric spinel Li[LixMn2-x]O4in whichxdecreases from 1/3 (Li4Mn5O12) to 0 (LiMn2O4), with concomitant formation of Li2MnO3depending on the synthesis conditions.

Original languageEnglish
Pages (from-to)74-80
Number of pages7
JournalJournal of Solid State Chemistry
Volume130
Issue number1
DOIs
Publication statusPublished - Apr 1 1997

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Manganese
X ray powder diffraction
spinel
manganese
Neutrons
lithium
neutrons
manganese ions
Lithium
synthesis
diffraction
eutectics
Ions
nitrates
acetates
lattice parameters
Rietveld refinement
x rays
valence
Nitrates

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Structure Refinement of Li4Mn5O12with Neutron and X-Ray Powder Diffraction Data. / Takada, Toshimi; Akiba, Etsuo; Izumi, Fujio; Chakoumakos, Bryan C.

In: Journal of Solid State Chemistry, Vol. 130, No. 1, 01.04.1997, p. 74-80.

Research output: Contribution to journalArticle

Takada, Toshimi ; Akiba, Etsuo ; Izumi, Fujio ; Chakoumakos, Bryan C. / Structure Refinement of Li4Mn5O12with Neutron and X-Ray Powder Diffraction Data. In: Journal of Solid State Chemistry. 1997 ; Vol. 130, No. 1. pp. 74-80.
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