LiMnF3 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted LiF5 trigonal bipyramids that share corners with four equivalent Mn(1)F6 pentagonal pyramids, edges with three equivalent Mn(1)F6 pentagonal pyramids, and edges with two equivalent Li(1)F5 trigonal bipyramids. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted MnF6 pentagonal pyramids that share corners with six equivalent Mn(1)F6 pentagonal pyramids, corners with four equivalent Li(1)F5 trigonal bipyramids, and edges with three equivalent Li(1)F5 trigonal bipyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms.
LiMnF3 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted LiF5 trigonal bipyramids that share corners with four equivalent Mn(1)F6 pentagonal pyramids, edges with three equivalent Mn(1)F6 pentagonal pyramids, and edges with two equivalent Li(1)F5 trigonal bipyramids. The Li(1)-F(1) bond length is 1.89 Å. There is one shorter (1.99 Å) and one longer (2.07 Å) Li(1)-F(2) bond length. There is one shorter (1.98 Å) and one longer (2.01 Å) Li(1)-F(3) bond length. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted MnF6 pentagonal pyramids that share corners with six equivalent Mn(1)F6 pentagonal pyramids, corners with four equivalent Li(1)F5 trigonal bipyramids, and edges with three equivalent Li(1)F5 trigonal bipyramids. There is one shorter (2.12 Å) and one longer (2.21 Å) Mn(1)-F(1) bond length. There is one shorter (2.14 Å) and one longer (2.17 Å) Mn(1)-F(2) bond length. There is one shorter (2.20 Å) and one longer (2.22 Å) Mn(1)-F(3) bond length. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms.