K2TaCuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent Ta(1)Br6 octahedra, and faces with four equivalent Cu(1)Br6 octahedra. Ta(1) is bonded to six equivalent Br(1) atoms to form TaBr6 octahedra that share corners with six equivalent Cu(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to six equivalent Br(1) atoms to form CuBr6 octahedra that share corners with six equivalent Ta(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent K(1), one Ta(1), and one Cu(1) atom to form a mixture of distorted face, corner, and edge-sharing BrK4TaCu octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
K2TaCuBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent Ta(1)Br6 octahedra, and faces with four equivalent Cu(1)Br6 octahedra. All K(1)-Br(1) bond lengths are 3.76 Å. Ta(1) is bonded to six equivalent Br(1) atoms to form TaBr6 octahedra that share corners with six equivalent Cu(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ta(1)-Br(1) bond lengths are 2.64 Å. Cu(1) is bonded to six equivalent Br(1) atoms to form CuBr6 octahedra that share corners with six equivalent Ta(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Cu(1)-Br(1) bond lengths are 2.67 Å. Br(1) is bonded to four equivalent K(1), one Ta(1), and one Cu(1) atom to form a mixture of distorted face, corner, and edge-sharing BrK4TaCu octahedra. The corner-sharing octahedral tilt angles range from 0-60°.