Materials Data on Sr2SnSe3F2 by Materials Project

Abstract

Sr2SnSe3F2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one Se2- and four equivalent F1- atoms. The Sr–Se bond length is 3.56 Å. There are a spread of Sr–F bond distances ranging from 2.57–2.60 Å. Sn4+ is bonded to four Se2- atoms to form corner-sharing SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.52–2.61 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In the second Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two equivalent Sn4+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of distorted edge and corner-sharing FSr4 tetrahedra.