KCrF3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/m space group. K(1) is bonded to four equivalent F(1) and eight equivalent F(2) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Cr(1)F6 octahedra, and faces with four equivalent Cr(2)F6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form CrF6 octahedra that share corners with six equivalent Cr(2)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Cr site, Cr(2) is bonded to two equivalent F(1) and four equivalent F(2) 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 octahedral tilt angles range from 0-4°. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing FK4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1), one Cr(1), and one Cr(2) atom.
KCrF3 is (Cubic) Perovskite-like structured and crystallizes in the tetragonal I4/m space group. K(1) is bonded to four equivalent F(1) and eight equivalent F(2) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Cr(1)F6 octahedra, and faces with four equivalent Cr(2)F6 octahedra. All K(1)-F(1) bond lengths are 2.92 Å. There are four shorter (2.91 Å) and four longer (3.00 Å) K(1)-F(2) bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form CrF6 octahedra that share corners with six equivalent Cr(2)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both Cr(1)-F(1) bond lengths are 2.28 Å. All Cr(1)-F(2) bond lengths are 2.00 Å. In the second Cr site, Cr(2) is bonded to two equivalent F(1) and four equivalent F(2) 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 octahedral tilt angles range from 0-4°. Both Cr(2)-F(1) bond lengths are 1.97 Å. All Cr(2)-F(2) bond lengths are 2.12 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1), one Cr(1), and one Cr(2) atom to form a mixture of distorted corner and edge-sharing FK4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1), one Cr(1), and one Cr(2) atom.