Materials Data on Nd2Sn2O7 by Materials Project

Abstract

Nd2Sn2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Nd–O bond lengths are 2.38 Å. Sn4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.27 Å) and two longer (2.32 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Sn4+ atoms to form a mixture of edge and corner-sharing ONd2Sn2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Sn4+ atoms to form a mixture of edge and corner-sharing OSn4 tetrahedra.