Materials Data on Nd3U(ClO2)3 by Materials Project

Abstract

UNd3(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All U–O bond lengths are 2.10 Å. Nd3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Nd–O bond distances ranging from 2.41–2.68 Å. There are a spread of Nd–Cl bond distances ranging from 3.01–3.11 Å. O2- is bonded to one U6+, three equivalent Nd3+, and two equivalent Cl1- atoms to form a mixture of distorted edge, corner, and face-sharing ONd3UCl2 tetrahedra. There are one shorter (3.06 Å) and one longer (3.07 Å) O–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent O2- atoms.