A powder neutron diffraction investigation of vacancy ordering and covalence in γ-Fe2O3

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Profile refinement of powder neutron diffraction data has been used to examine the structure of γ-Fe2O3 and to evaluate covalence effects for octahedral and tetrahedral Fe3+ ions within the structure. The results imply an ordered cation vacancy distribution with tetragonal symmetry (space group P43212; a = 8.3396(4) Å, c = 24.966(2) Å). The structural model is compared with the results of electrostatic energy calculations, and the influence of covalence on the structure is discussed.

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