KCrF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, and faces with eight equivalent Cr(1)F6 octahedra. Cr(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CrF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and two equivalent Cr(1) atoms to form a mixture of distorted edge, face, and corner-sharing FK4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Cr(1) atoms.
KCrF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal I4/mcm space group. K(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, and faces with eight equivalent Cr(1)F6 octahedra. All K(1)-F(2) bond lengths are 3.00 Å. All K(1)-F(1) bond lengths are 2.93 Å. Cr(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form CrF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Cr(1)-F(2) bond lengths are 2.01 Å. There are two shorter (1.97 Å) and two longer (2.27 Å) Cr(1)-F(1) bond lengths. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and two equivalent Cr(1) atoms to form a mixture of distorted edge, face, and corner-sharing FK4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Cr(1) atoms.