Materials Data on NdClO2 by Materials Project

Abstract

NdO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to seven O and three equivalent Cl atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.79 Å. There are one shorter (2.83 Å) and two longer (3.05 Å) Nd–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.50 Å. In the second O site, O is bonded to three equivalent Nd and one O atom to form a mixture of corner and edge-sharing ONd3O trigonal pyramids. Cl is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms.