KMnF3 is (Cubic) Perovskite-like structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(1), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms to form KF12 cuboctahedra that share corners with four equivalent K(1)F12 cuboctahedra, corners with eight equivalent K(2)F12 cuboctahedra, faces with two equivalent K(1)F12 cuboctahedra, faces with four equivalent K(2)F12 cuboctahedra, faces with four equivalent Mn(1)F6 octahedra, and faces with four equivalent Mn(2)F6 octahedra. In the second K site, K(2) is bonded to two equivalent F(1), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms to form KF12 cuboctahedra that share corners with four equivalent K(2)F12 cuboctahedra, corners with eight equivalent K(1)F12 cuboctahedra, faces with two equivalent K(2)F12 cuboctahedra, faces with four equivalent K(1)F12 cuboctahedra, faces with four equivalent Mn(1)F6 octahedra, and faces with four equivalent Mn(2)F6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Mn(2)F6 octahedra, faces with four equivalent K(1)F12 cuboctahedra, and faces with four equivalent K(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Mn site, Mn(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, faces with four equivalent K(1)F12 cuboctahedra, and faces with four equivalent K(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent K(2), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), one Mn(1), and one Mn(2) atom.
KMnF3 is (Cubic) Perovskite-like structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(1), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms to form KF12 cuboctahedra that share corners with four equivalent K(1)F12 cuboctahedra, corners with eight equivalent K(2)F12 cuboctahedra, faces with two equivalent K(1)F12 cuboctahedra, faces with four equivalent K(2)F12 cuboctahedra, faces with four equivalent Mn(1)F6 octahedra, and faces with four equivalent Mn(2)F6 octahedra. There is one shorter (2.93 Å) and one longer (3.11 Å) K(1)-F(1) bond length. There is one shorter (2.99 Å) and one longer (3.02 Å) K(1)-F(2) bond length. There are two shorter (3.07 Å) and two longer (3.14 Å) K(1)-F(3) bond lengths. There are two shorter (2.92 Å) and two longer (2.94 Å) K(1)-F(4) bond lengths. In the second K site, K(2) is bonded to two equivalent F(1), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms to form KF12 cuboctahedra that share corners with four equivalent K(2)F12 cuboctahedra, corners with eight equivalent K(1)F12 cuboctahedra, faces with two equivalent K(2)F12 cuboctahedra, faces with four equivalent K(1)F12 cuboctahedra, faces with four equivalent Mn(1)F6 octahedra, and faces with four equivalent Mn(2)F6 octahedra. There is one shorter (2.97 Å) and one longer (3.05 Å) K(2)-F(1) bond length. There is one shorter (2.99 Å) and one longer (3.05 Å) K(2)-F(2) bond length. There are two shorter (2.88 Å) and two longer (2.99 Å) K(2)-F(3) bond lengths. There are two shorter (3.06 Å) and two longer (3.15 Å) K(2)-F(4) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Mn(2)F6 octahedra, faces with four equivalent K(1)F12 cuboctahedra, and faces with four equivalent K(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-7°. Both Mn(1)-F(1) bond lengths are 2.14 Å. Both Mn(1)-F(3) bond lengths are 2.14 Å. Both Mn(1)-F(4) bond lengths are 2.13 Å. In the second Mn site, Mn(2) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, faces with four equivalent K(1)F12 cuboctahedra, and faces with four equivalent K(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-7°. Both Mn(2)-F(2) bond lengths are 2.14 Å. Both Mn(2)-F(3) bond lengths are 2.13 Å. Both Mn(2)-F(4) bond lengths are 2.14 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent K(2), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), one Mn(1), and one Mn(2) atom.