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Abstract:
An unusually negative isomer shift delta is found in the Mossbauer
spectrum of the nitridoferrate(III), Ba3[FeN3]. A quantitative analysis
of the delta values and the quadrupole splittings for Ba3[FeN3],
Li3[FeN2], and a number of other iron compounds by band structure
calculations gave a remarkably good linear correlation between delta and
the calculated valence electron density. The weakest nuclear shielding
by the valence electrons was found for the 3s electrons in Ba3[FeN3],
which explains the delta value of -0.55(2) mms-1 relative to alpha-Fe.
