Materials Data on Cs2As2Se6O by Materials Project

Cs2As2Se6O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to four Se1- and one O2- atom. There are a spread of Cs–Se bond distances ranging from 3.68–4.00 Å. The Cs–O bond length is 3.26 Å. As3+ is bonded in a distorted T-shaped geometry to three Se1- atoms. There are a spread of As–Se bond distances ranging from 2.43–2.47 Å. There are three inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a 4-coordinate geometry to two equivalent Cs1+, one As3+, and one Se1- atom. The Se–Se bond length is 2.40 Å. In the second Se1- site, Se1- is bonded in a 4-coordinate geometry to two equivalent Cs1+, one As3+, and one Se1- atom. In the third Se1- site, Se1- is bonded in a 2-coordinate geometry to one As3+ and one O2- atom. The Se–O bond length is 2.05 Å. O2- is bonded in a distorted trigonal pyramidal geometry to two equivalent Cs1+ and two equivalent Se1- atoms.