Electronic and optical properties of grossular garnet (Ca3Al2Si3O12): An ab initio study
โ Scribed by Nilo F. Cano; Walter E.F. Ayta; Shigueo Watanabe
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 329 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0925-3467
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The electron density distribution in a natural garnet, uvarovite Ca 3 (Cr, Al) 2 Si 3 O 12 with 55% of the octahedral site occupied by Cr, has been studied with single-crystal X-ray diffraction methods through scattering factor refinement procedures. Electron density residuals up to 0.22 e/A s 3 in
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