Materials Data on Nd(ClO)3 by Materials Project
NdOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four oxygen molecules and two NdOCl3 sheets oriented in the (0, 0, 1) direction. In each NdOCl3 sheet, Nd is bonded in a 7-coordinate geometry to two equivalent O and five Cl atoms. There are one shorter (2.33 Å) and one longer (2.37 Å) Nd–O bond lengths. There are a spread of Nd–Cl bond distances ranging from 2.64–2.92 Å. O is bonded in a bent 150 degrees geometry to two equivalent Nd atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Nd atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Nd atom.
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