Materials Data on Sm2Mo2O7 by Materials Project

Abstract

Sm2Mo2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Sm–O bond lengths are 2.32 Å. Mo4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.22 Å) and two longer (2.27 Å) Mo–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Mo4+ atoms to form a mixture of edge and corner-sharing OMo4 tetrahedra.