Materials Data on CsAgBr2 by Materials Project
CsAgBr2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.69–3.90 Å. Ag1+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing AgBr5 trigonal bipyramids. There are a spread of Ag–Br bond distances ranging from 2.68–3.06 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ag1+ atom. In the second Br1- site, Br1- is bonded to two equivalent Cs1+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing BrCs2Ag4 octahedra. The corner-sharing octahedral tilt angles are 19°.