Materials Data on CsCoCuS2 by Materials Project
CsCoCuS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Cs–S bond lengths are 3.59 Å. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and edges with four equivalent CuS4 tetrahedra. All Co–S bond lengths are 2.34 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with four equivalent CoS4 tetrahedra. All Cu–S bond lengths are 2.34 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Cs1+, two equivalent Co2+, and two equivalent Cu1+ atoms.