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DOE OSTI · 1711861

Materials Data on CdCl2O by Materials Project

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Abstract

CdOCl2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two CdOCl2 sheets oriented in the (0, 0, 1) direction. Cd is bonded to one O and five Cl atoms to form edge-sharing CdCl5O octahedra. The Cd–O bond length is 2.28 Å. There are a spread of Cd–Cl bond distances ranging from 2.66–2.71 Å. O is bonded in a distorted water-like geometry to one Cd and one Cl atom. The O–Cl bond length is 2.32 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the second Cl site, Cl is bonded in a distorted trigonal planar geometry to two equivalent Cd and one O atom.

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36 MATERIALS SCIENCECd-Cl-OCdCl2Ocrystal structure

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2019-09-05. Materials Data on CdCl2O by Materials Project. https://doi.org/10.17188/1711861

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