CsHgF3 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 Hg(1)F6 octahedra. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 octahedra that share corners with six equivalent Hg(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 Hg(1) atoms to form a mixture of distorted face, corner, and edge-sharing FCs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
CsHgF3 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 Hg(1)F6 octahedra. All Cs(1)-F(1) bond lengths are 3.25 Å. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 octahedra that share corners with six equivalent Hg(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All Hg(1)-F(1) bond lengths are 2.30 Å. F(1) is bonded to four equivalent Cs(1) and two equivalent Hg(1) atoms to form a mixture of distorted face, corner, and edge-sharing FCs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.