Materials Data on Sr2SnS3F2 by Materials Project

Sr2SnS3F2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one S2- and four equivalent F1- atoms. The Sr–S bond length is 3.37 Å. There are three shorter (2.55 Å) and one longer (2.56 Å) Sr–F bond lengths. Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.37–2.49 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In the second S2- site, S2- 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 corner and edge-sharing FSr4 tetrahedra.

Sr₂SnS₃F₂结晶于正交晶系Pnma空间群。该结构为三维骨架结构。Sr²+采取九配位几何，与1个S²-和4个等价的F⁻成键。Sr-S键长为3.37埃，Sr-F键长包含3组较短键长（2.55埃）与1组较长键长（2.56埃）。Sn⁴+与4个S²-成键，形成共顶连接的SnS₄四面体结构基元，其Sn-S键长分布范围为2.37~2.49埃。体系中存在两类不等价的S²-配位位点：在第一类S²-位点中，S²-采取单配位几何，仅与1个Sn⁴+成键；在第二类S²-位点中，S²-采取畸变矩形跷跷板型配位几何，与2个等价的Sr²+以及2个等价的Sn⁴+成键。F⁻与4个等价的Sr²+成键，形成兼具共顶与共边连接的FSr₄四面体结构基元。