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On inspection, it can be seen that if expressed in terms of six tetrahedral sites, equation (15) is the same as equation (13) with i = 2???6v; i.e. i = 2 for infinite chains (v = 0) and i = 0 for dimeric chains (v = ). Figure 4 (a) MCL and (b) 1/(1???v) against the bulk Ca/Si ratio PRDX4 of the C-S-H(I) preparation. The data are from Chen et al. (2004 ?), Cong & Kirkpatrick (1996 ?), Damidot et al. (1995 ?), Grutzeck et al. (1989 ... The variation in the silicate anion structure that is represented by equation (15) is perhaps more easily envisaged if the equation is recast in terms of SOFBT. Substitution for v in equation (15) results in equation (16), which can be used to calculate the Ca/Si ratio from single-pulse 29Si NMR data. The data in Fig. 4 ? are replotted in Fig. 5 ? in terms of SOFBT, together with a line that represents equation (16) (the dotted line), which �C given the various errors that are possible in the experimental data �C is evidently a good explanation for most of the data, which as a consequence provides a useful constraint for the development of model structures. Brunet et al. (2004 ?) studied 29Si-enriched C-S-H(I) samples using 29Si double quantum homonuclear CP/MAS correlation NMR experiments and observed strong Q1�CQ1 correlation even in a sample that had a bulk Ca/Si ratio of 0.9. This is significant because it means that there must have been some dimeric structure, even at the low Ca/Si ratio of 0.9, which is selleck chemicals llc consistent with the conclusions from Cong & Kirkpatrick��s (1996 ?) 1H�C29Si cross-polarization experiments. Any model or models for the structure of C-S-H(I) must therefore account for dimeric structure over most of the compositional range, i.e. Ca/Si from up to about 1.5. selleck chemicals Figure 5 Plot of SOFBT against bulk Ca/Si ratio for C-S-H(I) preparations. The data are from: Chen et al. (2004 ?); Cong & Kirkpatrick (1996 ?); Damidot et al. (1995 ?); Grutzeck et al. (1989 ?); Matsuyama & Young ... The data that are compiled in this section are consistent with the view that C-S-H(I) with Ca/Si less than about 1.4 has a structure that is derived from 14?? tobermorite and that preparations that have Ca/Si greater than about 1.4 include a Ca-rich phase intermixed with the C-S-H(I). The resulting structural�Cchemical formula is compatible with many of the models that have been proposed for the C-S-H that forms in cement pastes (for this range of composition), as discussed by Richardson (2004 ?, 2008 ?) and which is demonstrated in Table 2 ?. Table 2 Values of the variables in literature models for single-chain tobermorite-based C-S-H for the four shortest MCL; it is evident that 5.?Tobermorite-based structural models for Ca/Si ratios up to 1.5 ? 5.1. General aspects of the crystal chemistry of calcium silicate hydrates and related phases ? Any model for the structure of C-S-H(I) should be crystal-chemically plausible.