Materials Data on K3BrO by Materials Project

Abstract

K3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both K–O bond lengths are 2.64 Å. All K–Br bond lengths are 3.73 Å. O2- is bonded to six equivalent K1+ atoms to form OK6 octahedra that share corners with six equivalent OK6 octahedra and faces with eight equivalent BrK12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent K1+ atoms to form BrK12 cuboctahedra that share corners with twelve equivalent BrK12 cuboctahedra, faces with six equivalent BrK12 cuboctahedra, and faces with eight equivalent OK6 octahedra.