An Ordered Alite Cement Clinker Phase (Ca ₃ SiO ₅ , <i>aP</i> 162) from Flux Synthesis

Abstract Calcium silicates are the main components in cement clinkers. Alite, nesosilicate or island silicate Ca 3 SiO 5 , also named C S chemistry notation, represents phase Portland Due to metastability of Alite at room temperature, quenching from high temperatures is mandatory for preservation and impurities important structure directing factors. Those two aspects result a plethora published polymorphs. Many polymorphs described literature characterized by various degrees disorder within Si−O substructure which direct consequence afore mentioned features (i. e. presence impurities). Here we report on CaCl 2 ‐flux mediated synthesis structural characterization an aP 162 featuring fully‐ordered [SiO 4 ] tetrahedron substructure. The orientation discussed based Nishi Takéuchi nomenclature equivalent Golovastikov model reported 1975. Rietveld analyses synthetic clinker three commercial CEM I substantiate that can successfully be applied analysis. Besides characterization, quantum chemical band calculations Density Functional Theory methods illustrate expected electrically isolating character .