57Fe Mössbauer spectroscopy, X-ray single-crystal diffractometry, and electronic structure calculations on natural sinhalites
✍ Scribed by Sven-Ulf Weber; Michael Grodzicki; Werner Lottermoser; Günther J. Redhammer; Dan Topa; Gerold Tippelt; Georg Amthauer
- Publisher
- Springer-Verlag
- Year
- 2008
- Tongue
- English
- Weight
- 481 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0342-1791
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Synthetic almandine garnet, Fe3A12Si3012, has been studied by temperature -dependent single crystal X-ray diffraction and 57Fe M6ssbauer spectroscopy. The Fe 2+ doublet in almandine is characterized by a small asymmetry between the high and low-velocity peaks that decreases in magnitude with decreas
## Abstract The SCF‐MS__X__α method is used to determine the electronic structure of [Fe(CN)~6~]^−3^. Optical transition energies and valence electron ionization potentials are calculated and compared with experimental measurements. The electronic charge density at the Fe nucleus is calculated; thi