MnPHO5 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 4-coordinate geometry to two equivalent H(1) and two equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent P(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. P(1) is bonded in a 1-coordinate geometry to one Mn(2), one H(1), one O(2), and one O(5) atom. H(1) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one H(1), one O(3), and one O(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one O(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one Mn(2) and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one O(1), and one O(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(2) and one P(1) atom.
MnPHO5 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 4-coordinate geometry to two equivalent H(1) and two equivalent O(2) atoms. Both Mn(1)-H(1) bond lengths are 1.67 Å. Both Mn(1)-O(2) bond lengths are 2.37 Å. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent P(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Both Mn(2)-P(1) bond lengths are 2.14 Å. Both Mn(2)-O(3) bond lengths are 2.55 Å. Both Mn(2)-O(4) bond lengths are 2.75 Å. Both Mn(2)-O(5) bond lengths are 2.78 Å. P(1) is bonded in a 1-coordinate geometry to one Mn(2), one H(1), one O(2), and one O(5) atom. The P(1)-H(1) bond length is 1.29 Å. The P(1)-O(2) bond length is 1.75 Å. The P(1)-O(5) bond length is 1.25 Å. H(1) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one O(1) atom. The H(1)-O(1) bond length is 1.76 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one H(1), one O(3), and one O(4) atom. The O(1)-O(3) bond length is 1.88 Å. The O(1)-O(4) bond length is 1.38 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one P(1), and one O(2) atom. The O(2)-O(2) bond length is 1.53 Å. In the third O site, O(3) is bonded in a water-like geometry to one Mn(2) and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one O(1), and one O(4) atom. The O(4)-O(4) bond length is 1.96 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(2) and one P(1) atom.