TY - JOUR
T1 - Structure Refinement of Li4Mn5O12with Neutron and X-Ray Powder Diffraction Data
AU - Takada, Toshimi
AU - Akiba, Etsuo
AU - Izumi, Fujio
AU - Chakoumakos, Bryan C.
N1 - Funding Information:
We thank Dr. Kenta Ooi, Shikoku National Industrial Research Institute, for initiating this study and for his advice and encouragement during the course of this investigation and Dr. Pascal Tessier for reading and correcting of this manuscript. The neutron diffraction work was conducted at Oak Ridge National Laboratory which is managed by Lockheed Martin Energy Research for the U.S. Department of Energy under Contract DE-AC05-96OR22464.
PY - 1997/4
Y1 - 1997/4
N2 - 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.
AB - 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.
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U2 - 10.1006/jssc.1997.7282
DO - 10.1006/jssc.1997.7282
M3 - Article
AN - SCOPUS:0002518704
VL - 130
SP - 74
EP - 80
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
IS - 1
ER -