Li5Mn4P4O16F crystallizes in the tetragonal I-4 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2) and three equivalent O(4) atoms. Mn(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to three equivalent Li(2) and one P(1) atom. F(1) is bonded in a rectangular see-saw-like geometry to four equivalent Mn(1) atoms.
Li5Mn4P4O16F crystallizes in the tetragonal I-4 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 2.07 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(2) and three equivalent O(4) atoms. The Li(2)-O(2) bond length is 2.18 Å. There is one shorter (2.02 Å) and two longer (2.05 Å) Li(2)-O(4) bond lengths. Mn(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom. There is one shorter (2.36 Å) and one longer (2.47 Å) Mn(1)-O(1) bond length. There is one shorter (2.15 Å) and one longer (2.24 Å) Mn(1)-O(2) bond length. There is one shorter (2.10 Å) and one longer (2.71 Å) Mn(1)-O(3) bond length. The Mn(1)-F(1) bond length is 2.27 Å. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.58 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to three equivalent Li(2) and one P(1) atom. F(1) is bonded in a rectangular see-saw-like geometry to four equivalent Mn(1) atoms.