A computational investigation of cation ordering phenomena in the binary spinel system MgAl2O4 -FeAl2O4

@article{Palin2007ACI,
  title={A computational investigation of cation ordering phenomena in the binary spinel system MgAl2O4 -FeAl2O4},
  author={Erika J. Palin and Richard J Harrison},
  journal={Mineralogical Magazine},
  year={2007},
  volume={71},
  pages={611 - 624}
}
Abstract The systematics of cation ordering in binary spinel solid solutions have been investigated using an interatomic potential model combined with Monte Carlo simulations. The formalism to describe a system containing three cation species ordering over two non-equivalent sub-lattices is developed and the method applied to the MgAl2O4-FeAl2O4 binary solid solution. Our results compare favourably with experimental measurements of site-occupancy data, although the experiments display a… CONTINUE READING

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