C-(A)-S-H(I) is a calcium silicate hydrate that is studied extensively as a model for the main binding phase in concrete. It is a structurally imperfect form of 14 Å tobermorite that has variable composition and length of (alumino)silicate anions. New structural–chemical formulae are presented for single- and double-chain tobermorite-based phases and equations are provided that can be used to calculate a number of useful quantities from29Si NMR data. It is shown that there are no interlayer calcium ions when the silicate chains are of infinite length and that one is added for each tetrahedral `bridging' site that is vacant. Preparations that have Ca/Si greater than about 1.4 include an intermixed Ca-rich phase. It is not possible to generate a structural model for a dimer that is crystal-chemically consistent with known calcium silicate hydrates if the starting structure is an orthotobermorite,i.e.of the type that has been used in all previous studies. Crystal-chemically plausible models are developed that are based instead on clinotobermorite. A number of models that represent different mean chain lengths are developed using crystal-chemical and geometrical reasoning. The models account for experimental observations, including variations in Ca/Si, H2O/Si, (alumino)silicate anion structure and layer spacing.

Ian G. Richardson

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

ACTA CRYSTALLOGRAPHICA SECTION B: STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS 发表与最广泛意义上的化合物和材料结构科学相关的科学文章。了解原子的排列，包括它们的时间变化以及对温度和压力的依赖性，通常是理解物理和化学现象的关键，对于新材料和超分子器件的设计至关重要。 ACTA CRYSTALLOGRAPHICA B 是发表此类文稿的论坛。发表了基于实验研究以及基于理论方法的科学发展，包括晶体结构预测、结构-性质关系和晶体结构数据库的使用。

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials. Understanding the arrangement of atoms, including their temporal variations and dependencies on temperature and pressure, is often crucial for comprehending physical and chemical phenomena, and is essential for the design of new materials and supramolecular devices. Acta Crystallographica Section B serves as a forum for such research, covering scientific advancements based on both experimental studies and theoretical methods, including crystal structure prediction, structure-property relationships, and the use of crystal structure databases.

《Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials》发表与化合物和材料结构科学相关的科学文章。了解原子的排列及其随时间变化、温度和压力的依赖性，通常是理解物理和化学现象的关键，这对于新材料和超分子器件的设计至关重要。《Acta Crystallographica Section B》是发表此类研究的论坛，涵盖基于实验研究和理论方法的科学进展，包括晶体结构预测、结构-性质关系及晶体结构数据库的应用。

Category	Quartile
化学	3
化学, 晶体学	3
化学, 化学综合	4

Model structures for C-(A)-S-H(I)

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