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 6-coordinate geometry to two equivalent P(1), two equivalent O(1), and two equivalent O(4) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent O(3), and two equivalent F(1) atoms. P(1) is bonded in a 1-coordinate geometry to one Mn(1), one Mn(2), one O(1), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one F(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mn(1) and one F(1) atom. F(1) is bonded in a distorted water-like geometry to one Mn(2), one O(2), and one O(4) 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 6-coordinate geometry to two equivalent P(1), two equivalent O(1), and two equivalent O(4) atoms. Both Mn(1)-P(1) bond lengths are 2.15 Å. Both Mn(1)-O(1) bond lengths are 2.70 Å. Both Mn(1)-O(4) bond lengths are 2.58 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent O(3), and two equivalent F(1) atoms. Both Mn(2)-P(1) bond lengths are 2.27 Å. Both Mn(2)-O(3) bond lengths are 2.23 Å. Both Mn(2)-F(1) bond lengths are 2.76 Å. P(1) is bonded in a 1-coordinate geometry to one Mn(1), one Mn(2), one O(1), and one O(3) atom. The P(1)-O(1) bond length is 1.34 Å. The P(1)-O(3) bond length is 1.92 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one F(1) atom. The O(2)-F(1) bond length is 1.21 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mn(1) and one F(1) atom. The O(4)-F(1) bond length is 1.74 Å. F(1) is bonded in a distorted water-like geometry to one Mn(2), one O(2), and one O(4) atom.