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The crystal structure of hillebrandite, Ca 2 SiO 3 (OH) 2 , was solved and refined in space group Cmc2 1 , a = 3.6389, b = 16.311, c = 11.829 Å, to R = 0.041 using single-crystal X-ray data. The structure consists of a three-dimensional network of Ca-O polyhedra that accommodates wollastonite-type Si-O tetrahedral chains. Each of the wollastonite-type chains is an average of two symmetrically equivalent chains related by the mirror plane perpendicular to a. In a given structural channel of the Ca-O polyhedral network, only one chain orientation can be occupied to give reasonable Si-O distances. The O3 and O4 sites corresponding to each vacant Si2 site are occupied by OH groups to achieve charge balance. The wollastonite-type Si-O tetrahedral chains in the hillebrandite structure resemble those reported for many calcium silicate hydrate (CSH) phases.

Crystal structure of hillebrandite: A natural analogue of calcium silicate hydrate (CSH) phases in Portland cement