Materials Data on Sm4Se3O4 by Materials Project

Abstract

Sm4Se3O4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 4-coordinate geometry to two equivalent Se and four O2- atoms. Both Sm–Se bond lengths are 3.13 Å. There are a spread of Sm–O bond distances ranging from 2.33–2.37 Å. In the second Sm2+ site, Sm2+ is bonded in a 4-coordinate geometry to four equivalent Se and four O2- atoms. All Sm–Se bond lengths are 3.15 Å. There are two shorter (2.33 Å) and two longer (2.35 Å) Sm–O bond lengths. In the third Sm2+ site, Sm2+ is bonded in a 4-coordinate geometry to two equivalent Se and four O2- atoms. Both Sm–Se bond lengths are 3.13 Å. There are two shorter (2.27 Å) and two longer (2.33 Å) Sm–O bond lengths. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 2-coordinate geometry to two equivalent Sm2+ and two equivalent Se atoms. Both Se–Se bond lengths are 3.01 Å. In the second Se site, Se is bonded in a 6-coordinate geometry to four Sm2+ and two Se atoms. The Se–Se bond length is 2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm2+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the second O2- site, O2- is bonded to four Sm2+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O2- site, O2- is bonded to four Sm2+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.