CsHgBr2Cl is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to eight equivalent Br(1) and four equivalent Cl(1) atoms to form CsBr8Cl4 cuboctahedra that share corners with twelve equivalent Cs(1)Br8Cl4 cuboctahedra, faces with six equivalent Cs(1)Br8Cl4 cuboctahedra, and faces with eight equivalent Hg(1)Br4Cl2 octahedra. Hg(1) is bonded to four equivalent Br(1) and two equivalent Cl(1) atoms to form HgBr4Cl2 octahedra that share corners with six equivalent Hg(1)Br4Cl2 octahedra and faces with eight equivalent Cs(1)Br8Cl4 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent Cs(1) and two equivalent Hg(1) atoms to form a mixture of distorted corner, face, and edge-sharing BrCs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. Cl(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Hg(1) atoms.
CsHgBr2Cl is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to eight equivalent Br(1) and four equivalent Cl(1) atoms to form CsBr8Cl4 cuboctahedra that share corners with twelve equivalent Cs(1)Br8Cl4 cuboctahedra, faces with six equivalent Cs(1)Br8Cl4 cuboctahedra, and faces with eight equivalent Hg(1)Br4Cl2 octahedra. All Cs(1)-Br(1) bond lengths are 3.94 Å. All Cs(1)-Cl(1) bond lengths are 4.00 Å. Hg(1) is bonded to four equivalent Br(1) and two equivalent Cl(1) atoms to form HgBr4Cl2 octahedra that share corners with six equivalent Hg(1)Br4Cl2 octahedra and faces with eight equivalent Cs(1)Br8Cl4 cuboctahedra. The corner-sharing octahedra are not tilted. All Hg(1)-Br(1) bond lengths are 2.83 Å. Both Hg(1)-Cl(1) bond lengths are 2.75 Å. Br(1) is bonded to four equivalent Cs(1) and two equivalent Hg(1) atoms to form a mixture of distorted corner, face, and edge-sharing BrCs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. Cl(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Hg(1) atoms.