Abstract

A computation of the lattice electric field gradient tensor at the octahedral and tetrahedral Fe 3+ sites in the Sr 3 Fe 2 Ge 4 O 14 trigonal germanate is performed, taking into account the fractional ionic charges provided by the valence summation procedure. The correlation of the calculated Mossbauer quadrupole splittings with those found experimentally shows the role of the local environment distortion in the quadrupole interaction of iron nuclei in this structure.

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