Materials Data on CsReO2 by Materials Project

CsReO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent O2- atoms to form distorted edge-sharing CsO6 octahedra. There are a spread of Cs–O bond distances ranging from 2.78–3.50 Å. Re3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.00 Å) and two longer (2.09 Å) Re–O bond lengths. O2- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Re3+ atoms.