Materials Data on SmMoO5 by Materials Project

Abstract

SmMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.51 Å. Mo is bonded in a tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.78 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Sm, one Mo, and one O atom. The O–O bond length is 1.52 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one Mo atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom.