Materials Data on Ca3Si(ClO2)2 by Materials Project

Kristin Persson
Ca3SiO4Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to four O2- and three Cl1- atoms to form distorted CaCl3O4 pentagonal bipyramids that share corners with two equivalent CaCl3O4 pentagonal bipyramids, corners with two equivalent SiO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. There are a spread of Ca–O bond distances ranging from 2.30–2.42 Å. There are...
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