MnPO4F crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a hexagonal bipyramidal geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent F(1) atoms. P(1) is bonded in a distorted L-shaped 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 distorted single-bond geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one F(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mn(1) and one P(1) atom. F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one O(2) atom.
MnPO4F crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a hexagonal bipyramidal geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms. Both Mn(1)-O(1) bond lengths are 2.19 Å. Both Mn(1)-O(2) bond lengths are 2.41 Å. Both Mn(1)-O(4) bond lengths are 2.42 Å. Both Mn(1)-F(1) bond lengths are 2.11 Å. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent F(1) atoms. Both Mn(2)-O(3) bond lengths are 1.97 Å. Both Mn(2)-F(1) bond lengths are 1.76 Å. P(1) is bonded in a distorted L-shaped geometry to one O(1), one O(2), one O(3), and one O(4) atom. The P(1)-O(1) bond length is 1.21 Å. The P(1)-O(2) bond length is 2.37 Å. The P(1)-O(3) bond length is 1.33 Å. The P(1)-O(4) bond length is 2.03 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one F(1) atom. The O(2)-F(1) bond length is 1.70 Å. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mn(1) and one P(1) atom. F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one O(2) atom.