Materials Data on RbMnCuS2 by Materials Project

Abstract

RbMnCuS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Rb–S bond lengths are 3.50 Å. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and edges with four equivalent CuS4 tetrahedra. All Mn–S bond lengths are 2.43 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 MnS4 tetrahedra. All Cu–S bond lengths are 2.43 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Rb1+, two equivalent Mn2+, and two equivalent Cu1+ atoms.