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Electronic structure of X2Y3molecules (X = B, Al, Ga; Y = O,S): A theoretical study

✍ Scribed by Eluvathingal D. Jemmis; G. Subramanian; S. Santosh Kumar; Jerzy Leszczynski


Book ID
112906967
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
1995
Tongue
English
Weight
426 KB
Volume
107
Category
Article
ISSN
0253-4134

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Electron Density Study of Garnets: Y3X2A
✍ Haruo Sawada πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 380 KB

The electron density distribution in two garnets Y 3 Al 2 Al 3 O 12 [YAG] and Y 3 X 2 Al 3 O 12 : X ‫؍‬ (Al 0.71 Cr 0.29 ) [YCG] have been studied with single-crystal X-ray diffraction methods through scattering factor refinement procedures. YAG has broad electron density residuals of 0.3 e/A s 3 he