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. 2014 Nov 8;70(Pt 6):903–923. doi: 10.1107/S2052520614021982

Table 1. The fractions of the tetrahedral sites that are present in tobermorites and C-A-S-H phases that are occupied by Si or Al or that are vacant.

Al substitutes for Si only at bridging sites and paired sites cannot be vacant. The theoretical maximum values of f, v and (f + v) are Inline graphic, Inline graphic (i.e. dimer) and Inline graphic, respectively, for double-chain structure and Inline graphic, Inline graphic and Inline graphic for single-chain structure. The actual minimum and maximum values of f are dependent on the fraction (v) and distribution of vacant sites.

Sites occupied by Value for double-chain tobermorite and cross-linked C-A-S-H Value for single-chain tobermorite and C-A-S-H
Al f f
Vacancy v v
Q1 Si 2v 2v
Q2(0Al) Si Inline graphic Inline graphic
Q2(1Al) Si 2f 2f
Q3(0Al) Si Inline graphic  
Q3(1Al) Si Inline graphic  
     
Total 1 1
     
Paired Q2(0Al) Si Inline graphic Inline graphic
Bridging Q2(0Al) Si pv Inline graphic
     
Paired Q2(0Al) Si adjacent to Q3 Inline graphic  
Paired Q2(0Al) Si adjacent to Q2B 2pv Inline graphic
Bridging Q2(0Al) Si pv Inline graphic

p = the fraction of vacant sites that are adjacent to a bridging site that is occupied by Si; q = the fraction of vacant sites that are adjacent to a bridging site that is occupied by Al; it follows that the fraction of vacant sites that are opposite other vacant sites = 1p q. Vacant sites that are opposite a bridging site that is occupied by Al or that is vacant are illustrated in Fig. 3 of Myers et al. (2013).