CsAgCl3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Cl(2) and eight 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 Ag(1)Cl6 octahedra, and faces with four equivalent Ag(2)Cl6 octahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent Ag(2)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Ag site, Ag(2) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form AgCl6 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. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Cs(1), one Ag(1), and one Ag(2) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second Cl site, Cl(2) is bonded to four equivalent Cs(1), one Ag(1), and one Ag(2) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°.
CsAgCl3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent Cl(2) and eight 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 Ag(1)Cl6 octahedra, and faces with four equivalent Ag(2)Cl6 octahedra. All Cs(1)-Cl(2) bond lengths are 3.64 Å. All Cs(1)-Cl(1) bond lengths are 3.69 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent Ag(2)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ag(1)-Cl(2) bond lengths are 2.42 Å. All Ag(1)-Cl(1) bond lengths are 2.68 Å. In the second Ag site, Ag(2) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form AgCl6 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. Both Ag(2)-Cl(2) bond lengths are 2.86 Å. All Ag(2)-Cl(1) bond lengths are 2.46 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Cs(1), one Ag(1), and one Ag(2) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second Cl site, Cl(2) is bonded to four equivalent Cs(1), one Ag(1), and one Ag(2) atom to form a mixture of distorted face, corner, and edge-sharing ClCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°.