Original paper

The relationship between 29Si MAS NMR chemical shift and silicate mineral structure

Sherriff, Barbara L.; Grundy, H. Douglas; Hartman, J. Stephen

European Journal of Mineralogy Volume 3 Number 5 (1991), p. 751 - 768

111 references

published: Oct 2, 1991
manuscript accepted: Apr 30, 1991
manuscript received: Aug 30, 1990

DOI: 10.1127/ejm/3/5/0751

BibTeX file

ArtNo. ESP147050305001, Price: 29.00 €

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Abstract A simple empirical relationship has been found between silicate mineral structure and 29Si chemical shift, which can be used to calculate chemical shift from atomic positions. It is based on the magnetic susceptibility anisotropy of the bonds to second nearest neighbours modified by the bond valence and the angle at the bridging oxygen. Calculations on theoretical models of structures show an almost linear relationship between the length of the bond to the second nearest neighbour and chemical shift, with the rate of change being dependent on the angle at the bridging oxygen. The relationship is used to investigate Al-Si ordering in zunyite


29Si MAS NMRcorrelationchemical shiftsilicate mineralszunyite