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1. Study Of Nature Of Structural Defects In A Prussian Blue Type Cu0.73Mn0.77[Fe(CN)6]·zH2O Molecular Magnet.

Author

Kumar, Amit, Yusuf, S. M., and Yakhmi, J. V.

Subjects
*CRYSTAL defects, *PRUSSIAN blue, *COPPER compounds, *MOLECULAR structure, *MONTE Carlo method, *NEUTRON scattering, *WATER, *CRYSTALLIZATION
Abstract

We have determined crystal structure and nature of structural defects in the Cu0.73Mn0.77[Fe(CN)6]·zH2O molecular magnetic compound by employing the Rietveld refinement and reverse Monte Carlo (RMC) simulation techniques on the neutron scattering data. It crystallizes in a face centred cubic structure (Space group: Fm3m). The analysis of the pair-correlation functions for the oxygen atoms of the coordinated and non-coordinated water molecules reveals a correlated local ordering of water molecules at and around the empty Fe(CN)6 sites in this compound. [ABSTRACT FROM AUTHOR]

Published
2010
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