CsFeF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve 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 Fe(1)F6 octahedra. Fe(1) is bonded to six equivalent F(1) atoms to form FeF6 octahedra that share corners with six equivalent Fe(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent Cs(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing FCs4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
CsFeF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve 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 Fe(1)F6 octahedra. All Cs(1)-F(1) bond lengths are 3.05 Å. Fe(1) is bonded to six equivalent F(1) atoms to form FeF6 octahedra that share corners with six equivalent Fe(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All Fe(1)-F(1) bond lengths are 2.16 Å. F(1) is bonded to four equivalent Cs(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing FCs4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.