Materials Data on CsSn2Br5 by Materials Project

CsSn2Br5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are eight shorter (3.82 Å) and two longer (4.03 Å) Cs–Br bond lengths. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are two shorter (2.76 Å) and two longer (3.15 Å) Sn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent Cs1+ and four equivalent Sn2+ atoms to form distorted corner-sharing BrCs2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one Sn2+ atom.

CsSn₂Br₅结晶于四方晶系I4/mcm空间群（space group）。该晶体结构为三维结构。Cs1+（铯(I)阳离子）以十配位几何构型（10-coordinate geometry）与10个Br1-（溴阴离子）成键，其Cs–Br键长包含8条较短的3.82 Å键与2条较长的4.03 Å键。Sn2+（锡(II)阳离子）以畸变矩形跷跷板型配位几何构型与4个Br1-原子成键，其Sn–Br键长包含2条较短的2.76 Å键与2条较长的3.15 Å键。该体系存在2个不等价的Br1-位点：在第一个Br1-位点中，Br1-与2个等价的Cs1+以及4个等价的Sn2+成键，形成畸变的共角BrCs₂Sn₄八面体；此类共角八面体的倾斜角范围为0°~29°。在第二个Br1-位点中，Br1-以三配位几何构型（3-coordinate geometry）与2个等价的Cs1+以及1个Sn2+原子成键。