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DOE OSTI · 1289148

Materials Data on Ca(ClO3)2 by Materials Project

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Abstract

Ca(ClO3)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.49–2.62 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Ca and one Cl atom. The O–Cl bond length is 1.53 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.49 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and one Cl atom. The O–Cl bond length is 1.50 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.

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36 MATERIALS SCIENCECa(ClO3)2Ca-Cl-Ocrystal structure

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2020-05-02. Materials Data on Ca(ClO3)2 by Materials Project. https://doi.org/10.17188/1289148

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