Cs2MnHgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent Mn(1)F6 octahedra, and faces with four equivalent Hg(1)F6 octahedra. Mn(1) is bonded to six equivalent F(1) atoms to form MnF6 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. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 octahedra that share corners with six equivalent Mn(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), one Mn(1), and one Hg(1) atom to form a mixture of distorted edge, corner, and face-sharing FCs4MnHg octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2MnHgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent Mn(1)F6 octahedra, and faces with four equivalent Hg(1)F6 octahedra. All Cs(1)-F(1) bond lengths are 3.20 Å. Mn(1) is bonded to six equivalent F(1) atoms to form MnF6 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 Mn(1)-F(1) bond lengths are 2.10 Å. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 octahedra that share corners with six equivalent Mn(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 2.42 Å. F(1) is bonded to four equivalent Cs(1), one Mn(1), and one Hg(1) atom to form a mixture of distorted edge, corner, and face-sharing FCs4MnHg octahedra. The corner-sharing octahedral tilt angles range from 0-60°.