CsHgBrCl2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to four equivalent Br(1) and eight equivalent Cl(1) atoms to form CsBr4Cl8 cuboctahedra that share corners with twelve equivalent Cs(1)Br4Cl8 cuboctahedra, faces with six equivalent Cs(1)Br4Cl8 cuboctahedra, and faces with eight equivalent Hg(1)Br2Cl4 octahedra. Hg(1) is bonded to two equivalent Br(1) and four equivalent Cl(1) atoms to form HgBr2Cl4 octahedra that share corners with six equivalent Hg(1)Br2Cl4 octahedra and faces with eight equivalent Cs(1)Br4Cl8 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 BrCs4Hg2 octahedra that share corners with six equivalent Br(1)Cs4Hg2 octahedra, corners with sixteen equivalent Cl(1)Cs4Hg2 octahedra, edges with four equivalent Br(1)Cs4Hg2 octahedra, and faces with eight equivalent Cl(1)Cs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. Cl(1) is bonded to four equivalent Cs(1) and two equivalent Hg(1) atoms to form distorted ClCs4Hg2 octahedra that share corners with eight equivalent Br(1)Cs4Hg2 octahedra, corners with fourteen equivalent Cl(1)Cs4Hg2 octahedra, edges with four equivalent Cl(1)Cs4Hg2 octahedra, faces with four equivalent Br(1)Cs4Hg2 octahedra, and faces with four equivalent Cl(1)Cs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
CsHgBrCl2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to four equivalent Br(1) and eight equivalent Cl(1) atoms to form CsBr4Cl8 cuboctahedra that share corners with twelve equivalent Cs(1)Br4Cl8 cuboctahedra, faces with six equivalent Cs(1)Br4Cl8 cuboctahedra, and faces with eight equivalent Hg(1)Br2Cl4 octahedra. All Cs(1)-Br(1) bond lengths are 3.85 Å. All Cs(1)-Cl(1) bond lengths are 3.91 Å. Hg(1) is bonded to two equivalent Br(1) and four equivalent Cl(1) atoms to form HgBr2Cl4 octahedra that share corners with six equivalent Hg(1)Br2Cl4 octahedra and faces with eight equivalent Cs(1)Br4Cl8 cuboctahedra. The corner-sharing octahedra are not tilted. Both Hg(1)-Br(1) bond lengths are 2.81 Å. All Hg(1)-Cl(1) bond lengths are 2.72 Å. Br(1) is bonded to four equivalent Cs(1) and two equivalent Hg(1) atoms to form BrCs4Hg2 octahedra that share corners with six equivalent Br(1)Cs4Hg2 octahedra, corners with sixteen equivalent Cl(1)Cs4Hg2 octahedra, edges with four equivalent Br(1)Cs4Hg2 octahedra, and faces with eight equivalent Cl(1)Cs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. Cl(1) is bonded to four equivalent Cs(1) and two equivalent Hg(1) atoms to form distorted ClCs4Hg2 octahedra that share corners with eight equivalent Br(1)Cs4Hg2 octahedra, corners with fourteen equivalent Cl(1)Cs4Hg2 octahedra, edges with four equivalent Cl(1)Cs4Hg2 octahedra, faces with four equivalent Br(1)Cs4Hg2 octahedra, and faces with four equivalent Cl(1)Cs4Hg2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.