CsAgF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with eight equivalent Ag(1)F6 octahedra. Ag(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form AgF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted edge, corner, and face-sharing FCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Ag(1) atoms.
CsAgF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with eight equivalent Ag(1)F6 octahedra. All Cs(1)-F(2) bond lengths are 3.16 Å. All Cs(1)-F(1) bond lengths are 3.13 Å. Ag(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form AgF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ag(1)-F(2) bond lengths are 2.19 Å. There are two shorter (2.10 Å) and two longer (2.37 Å) Ag(1)-F(1) bond lengths. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted edge, corner, and face-sharing FCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Ag(1) atoms.