CsAgBr3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. Cs(1) is bonded to four equivalent Br(1), four equivalent Br(2), and four equivalent Br(3) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, and faces with eight equivalent Ag(1)Br6 octahedra. Ag(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form AgBr6 octahedra that share corners with six equivalent Ag(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted face, corner, and edge-sharing BrCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second Br site, Br(2) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted face, corner, and edge-sharing BrCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the third Br site, Br(3) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted face, corner, and edge-sharing BrCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°.
CsAgBr3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. Cs(1) is bonded to four equivalent Br(1), four equivalent Br(2), and four equivalent Br(3) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, and faces with eight equivalent Ag(1)Br6 octahedra. There are a spread of Cs(1)-Br(1) bond distances ranging from 3.83-3.94 Å. There are two shorter (3.88 Å) and two longer (3.89 Å) Cs(1)-Br(2) bond lengths. There are two shorter (3.87 Å) and two longer (3.90 Å) Cs(1)-Br(3) bond lengths. Ag(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form AgBr6 octahedra that share corners with six equivalent Ag(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. Both Ag(1)-Br(1) bond lengths are 2.75 Å. Both Ag(1)-Br(2) bond lengths are 2.75 Å. Both Ag(1)-Br(3) bond lengths are 2.75 Å. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted face, corner, and edge-sharing BrCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second Br site, Br(2) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted face, corner, and edge-sharing BrCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the third Br site, Br(3) is bonded to four equivalent Cs(1) and two equivalent Ag(1) atoms to form a mixture of distorted face, corner, and edge-sharing BrCs4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°.