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Ab initio calculation on the (Si2O7)6−bitetrahedra

Authors
Journal
Journal of Non-Crystalline Solids
0022-3093
Publisher
Elsevier
Publication Date
Volume
27
Issue
1
Identifiers
DOI: 10.1016/0022-3093(78)90043-1

Abstract

Abstract The total energy surface of the (Si 2O 7) 6− ion is calculated from the bend and torsion angles in the SiOSi axis. The results are discussed and compared with the experimental data. The ab initio calculation of (SiO 4) 4−, as well as the calculation of the charge distributions for all species were made and discussed.

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