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Materials Data on Cs(CoSe)2 by Materials Project

Cs(CoSe)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Cs–Se bond lengths are 3.64 Å. Co+1.50+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CoSe4 tetrahedra. All Co–Se bond lengths are 2.36 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Co+1.50+ atoms.

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