Cs2TaAgCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, faces with four equivalent Ta(1)Cl6 octahedra, and faces with four equivalent Ag(1)Cl6 octahedra. Ta(1) is bonded to six equivalent Cl(1) atoms to form TaCl6 octahedra that share corners with six equivalent Ag(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded to six equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent Ta(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Cs(1), one Ta(1), and one Ag(1) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4TaAg octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2TaAgCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, faces with four equivalent Ta(1)Cl6 octahedra, and faces with four equivalent Ag(1)Cl6 octahedra. All Cs(1)-Cl(1) bond lengths are 3.74 Å. Ta(1) is bonded to six equivalent Cl(1) atoms to form TaCl6 octahedra that share corners with six equivalent Ag(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ta(1)-Cl(1) bond lengths are 2.50 Å. Ag(1) is bonded to six equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent Ta(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ag(1)-Cl(1) bond lengths are 2.79 Å. Cl(1) is bonded to four equivalent Cs(1), one Ta(1), and one Ag(1) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4TaAg octahedra. The corner-sharing octahedral tilt angles range from 0-60°.