R1: Characterization and description of minerals

[R1-01] Calculation of EFG due to ligand oxygens nearest neighbors to Fe³⁺in the M1 site of aegirine

*Keiji Shinoda¹, Yasuhiro Kobayashi² (1. Osaka City Univ. Sci., 2. Kyoto Univ. KURNS)

Keywords:Mössbauer spectroscopy, Electric field tensor, aegirine

The electric field gradient (EFG) tensor of the Mössbauer nucleus is an important physical property in Mössbauer spectra measurements of a single crystal. In this study, the experimentally determined EFG tensor of aegirine was compared with the EFGs calculated from the crystal structure of aegirine. As a result, the EFG tensors calculated from the crystal structure show considerable variation, depending on small differences in atomic position suggested by X-ray diffraction analysis. Thus, experimental determination of EFG is required for single crystal Mössbauer measurements.