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Chin. Phys., 2007, Vol. 16(3): 784-787    DOI: 10.1088/1009-1963/16/3/037

Determination of the sites of Fe atoms in Fe-substituted Mn12

Chen Dong-Lianga, Wu Zi-Yua, Cao Hui-Bob, He Lun-Huab, Zhang Jun-Rongb, Wang Fang-Weib, Yan Qi-Weib
a Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China; b State Key Laboratory of Magnetism, Institute of Physics, Chinese Academy of Sciences, Beijing 100080, China
Abstract  In this paper neutron diffraction experiments were performed for Fe-substituted Mn12 in order to determine the sites of Fe atoms. The results of structure refinements for the sample with our accessed highest Fe content showed that all Fe atoms occupied Mn(3) sites in the Mn12 skeleton. The x-ray absorption fine structure experiments as well as multiple scattering simulations gave the same result. Thus we concluded that Fe atoms only occupied Mn(3) sites. This conclusion also means that Fe-substituted Mn12 series only includes the four single-molecule magnets of [Mn12-xFexO12(CH3COO)16(H2O)4]\cdot 2CH3COOH\cdot 4H2O (x = 1, 2, 3, and 4), denoted by Mn11Fe1, Mn10Fe2, Mn9Fe3, and Mn8Fe4, respectively.
Keywords:  neutron diffraction      x-ray absorption fine structure      single-molecule magnets  
Received:  26 June 2006      Revised:  08 August 2006      Published:  20 March 2007
PACS:  75.50.Xx (Molecular magnets) (Neutron diffraction)  
  61.66.Fn (Inorganic compounds)  
  78.70.Dm (X-ray absorption spectra)  
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos~10375088 and 10505029).

Cite this article: 

Chen Dong-Liang, Wu Zi-Yu, Cao Hui-Bo, He Lun-Hua, Zhang Jun-Rong, Wang Fang-Wei, Yan Qi-Wei Determination of the sites of Fe atoms in Fe-substituted Mn12 2007 Chin. Phys. 16 784

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