Materials Data on Cs2Au2Se3 by Materials Project
Cs2Au2Se3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.74–3.98 Å. Au2+ is bonded in a distorted linear geometry to two Se2- atoms. There are one shorter (2.44 Å) and one longer (2.45 Å) Au–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Cs1+, one Au2+, and one Se2- atom. The Se–Se bond length is 2.47 Å. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Au2+ atoms.
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