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Materials Data on Cs2Se by Materials Project

Cs2Se crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted trigonal non-coplanar geometry to four equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.51–4.26 Å. Se2- is bonded in a 8-coordinate geometry to eight equivalent Cs1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cs2Se by Materials Project

Cs2Se is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CsSe4 tetrahedra. All Cs–Se bond lengths are 3.68 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cs2Se by Materials Project

Cs2Se is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.71–4.24 Å. In the second Cs1+ site, Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CsSe4 tetrahedra. There are a spread of Cs–Se bond distances ranging from 3.59–3.64 Å. Se2- is bonded in a 9-coordinate geometry to nine Cs1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cs2Se by Materials Project

Cs2Se is Cuprite structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Cs1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.41 Å. Se2- is bonded to four equivalent Cs1+ atoms to form corner-sharing SeCs4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on Cs2Se by Materials Project

Cs2Se crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.69–3.88 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.54–3.92 Å. Se2- is bonded in a 8-coordinate geometry to eight Cs1+ atoms.

36 MATERIALS SCIENCE↗