KAgCl3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. K(1) is bonded to four equivalent Cl(2) and eight equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with twelve equivalent K(1)Cl12 cuboctahedra, faces with six equivalent K(1)Cl12 cuboctahedra, and faces with eight equivalent Ag(1)Cl6 octahedra. Ag(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent Ag(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent K(1) and two equivalent Ag(1) atoms to form a mixture of distorted edge, corner, and face-sharing ClK4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and two equivalent Ag(1) atoms to form a mixture of distorted edge, corner, and face-sharing ClK4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.
KAgCl3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. K(1) is bonded to four equivalent Cl(2) and eight equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with twelve equivalent K(1)Cl12 cuboctahedra, faces with six equivalent K(1)Cl12 cuboctahedra, and faces with eight equivalent Ag(1)Cl6 octahedra. All K(1)-Cl(2) bond lengths are 3.63 Å. There are four shorter (3.61 Å) and four longer (3.65 Å) K(1)-Cl(1) bond lengths. Ag(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent Ag(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ag(1)-Cl(2) bond lengths are 2.56 Å. All Ag(1)-Cl(1) bond lengths are 2.56 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent K(1) and two equivalent Ag(1) atoms to form a mixture of distorted edge, corner, and face-sharing ClK4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and two equivalent Ag(1) atoms to form a mixture of distorted edge, corner, and face-sharing ClK4Ag2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.