Materials Data on Nd2O5 by Materials Project

Abstract

Nd2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.32–2.65 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent Nd and one O atom. The O–O bond length is 1.49 Å. In the second O site, O is bonded to four equivalent Nd atoms to form ONd4 tetrahedra that share corners with eight equivalent ONd3O tetrahedra and edges with four ONd4 tetrahedra. In the third O site, O is bonded to three equivalent Nd and one O atom to form a mixture of distorted edge and corner-sharing ONd3O tetrahedra.