LiMnPO4F crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 2-coordinate geometry to one Mn(1), one O(1), and one O(2) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent O(1), and two equivalent F(1) atoms. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent O(3) atoms. P(1) is bonded in a distorted single-bond geometry to one O(3), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Mn(1), two equivalent P(1), one O(4), and one F(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Li(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one P(1), one O(1), and one F(1) atom. F(1) is bonded in a 2-coordinate geometry to one Mn(1), one O(1), and one O(4) atom.
LiMnPO4F crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 2-coordinate geometry to one Mn(1), one O(1), and one O(2) atom. The Li(1)-Mn(1) bond length is 1.63 Å. The Li(1)-O(1) bond length is 2.60 Å. The Li(1)-O(2) bond length is 2.33 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent O(1), and two equivalent F(1) atoms. Both Mn(1)-O(1) bond lengths are 2.45 Å. Both Mn(1)-F(1) bond lengths are 2.46 Å. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent O(3) atoms. Both Mn(2)-O(3) bond lengths are 1.26 Å. P(1) is bonded in a distorted single-bond geometry to one O(3), one O(4), and two equivalent O(1) atoms. The P(1)-O(3) bond length is 1.08 Å. The P(1)-O(4) bond length is 2.00 Å. There is one shorter (2.28 Å) and one longer (2.31 Å) P(1)-O(1) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Mn(1), two equivalent P(1), one O(4), and one F(1) atom. The O(1)-O(4) bond length is 1.63 Å. The O(1)-F(1) bond length is 2.06 Å. In the second O site, O(2) is bonded in a single-bond geometry to one Li(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one P(1), one O(1), and one F(1) atom. The O(4)-F(1) bond length is 1.78 Å. F(1) is bonded in a 2-coordinate geometry to one Mn(1), one O(1), and one O(4) atom.