Materials Data on Nd3U2O10 by Materials Project
U2Nd3O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.15–2.51 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.48 Å. In the second Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.46 Å) Nd–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U+5.50+ and two equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd2U2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent U+5.50+ and two Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd2U2 tetrahedra. In the third O2- site, O2- is bonded to one U+5.50+ and three Nd3+ atoms to form a mixture of edge and corner-sharing ONd3U tetrahedra.