Materials Data on Cs2Te4O9 by Materials Project
Cs2Te4O9 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.27–3.49 Å. In the second Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.26 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.33 Å. In the second Te4+ site, Te4+ is bonded to five O2- atoms to form distorted corner-sharing TeO5 square pyramids. There are a spread of Te–O bond distances ranging from 1.87–2.54 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Cs1+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Cs1+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+ and two equivalent Te4+ atoms.