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Structure and formation mechanism of six-fold coordinated silicon in phosphosilicate glasses

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
;  [1]; ;  [1];  [2]
  1. Amorphous Materials Laboratory, Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011 (Japan)
  2. Department of Chemistry, Faculty of Science, Kobe University, Nada, Kobe 657-8501 (Japan)
The local structure of sixfold oxygen coordinated silicon ({sup [6]}Si) in sodium phosphosilicate glasses has been investigated using MAS NMR spectroscopy and ab initio quantum-chemical techniques. It has been demonstrated that {sup [6]}Si is interconnected by six PO{sub 4} tetrahedral units by sharing only their corners, forming a nearly regular [SiO{sub 6/2}]{sup 2-} octahedral site. Alkali cations behave as charge compensators of the doubly charged {sup [6]}Si species and hence play an indispensable role in stabilizing the peculiar octahedral coordination in the glasses.
OSTI ID:
20718986
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 17 Vol. 71; ISSN 1098-0121
Country of Publication:
United States
Language:
English

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