K2TaCuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with twelve equivalent K(1)Cl12 cuboctahedra, faces with six equivalent K(1)Cl12 cuboctahedra, faces with four equivalent Ta(1)Cl6 octahedra, and faces with four equivalent Cu(1)Cl6 octahedra. Ta(1) is bonded to six equivalent Cl(1) atoms to form TaCl6 octahedra that share corners with six equivalent Cu(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to six equivalent Cl(1) atoms to form CuCl6 octahedra that share corners with six equivalent Ta(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent K(1), one Ta(1), and one Cu(1) atom to form a mixture of distorted corner, face, and edge-sharing ClK4TaCu octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
K2TaCuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with twelve equivalent K(1)Cl12 cuboctahedra, faces with six equivalent K(1)Cl12 cuboctahedra, faces with four equivalent Ta(1)Cl6 octahedra, and faces with four equivalent Cu(1)Cl6 octahedra. All K(1)-Cl(1) bond lengths are 3.55 Å. Ta(1) is bonded to six equivalent Cl(1) atoms to form TaCl6 octahedra that share corners with six equivalent Cu(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ta(1)-Cl(1) bond lengths are 2.48 Å. Cu(1) is bonded to six equivalent Cl(1) atoms to form CuCl6 octahedra that share corners with six equivalent Ta(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Cu(1)-Cl(1) bond lengths are 2.53 Å. Cl(1) is bonded to four equivalent K(1), one Ta(1), and one Cu(1) atom to form a mixture of distorted corner, face, and edge-sharing ClK4TaCu octahedra. The corner-sharing octahedral tilt angles range from 0-60°.