Results for “Cs2Ti(CuSe2)2”

Materials Data on Cs2Ti(CuSe2)2 by Materials Project

Cs2Ti(CuSe2)2 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are four shorter (3.72 Å) and four longer (3.75 Å) Cs–Se bond lengths. Ti4+ is bonded to four equivalent Se2- atoms to form TiSe4 tetrahedra that share edges with four equivalent CuSe4 tetrahedra. All Ti–Se bond lengths are 2.42 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and edges with two equivalent TiSe4 tetrahedra. All Cu–Se bond lengths are 2.49 Å. Se2- is bonded in a 7-coordinate geometry to four equivalent Cs1+, one Ti4+, and two equivalent Cu1+ atoms.