Materials Data on K2Cu(BrF)2 by Materials Project

Abstract

K2Cu(BrF)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent Br1- and four equivalent F1- atoms to form a mixture of distorted edge and corner-sharing KBr2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both K–Br bond lengths are 3.32 Å. All K–F bond lengths are 2.51 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.51 Å. Br1- is bonded in a square co-planar geometry to two equivalent K1+ and two equivalent Cu2+ atoms. F1- is bonded in a square co-planar geometry to four equivalent K1+ atoms.