MnPH2O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Mn(1), one Mn(2), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one P(1), and one H(2) atom.
MnPH2O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. Both Mn(1)-O(1) bond lengths are 2.33 Å. Both Mn(1)-O(3) bond lengths are 1.93 Å. Both Mn(1)-O(4) bond lengths are 1.96 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. Both Mn(2)-O(1) bond lengths are 2.33 Å. Both Mn(2)-O(2) bond lengths are 1.92 Å. Both Mn(2)-O(5) bond lengths are 1.96 Å. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.56 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. The H(1)-O(1) bond length is 1.00 Å. The H(1)-O(4) bond length is 1.70 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(5) atom. The H(2)-O(1) bond length is 1.00 Å. The H(2)-O(5) bond length is 1.70 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Mn(1), one Mn(2), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one P(1), and one H(2) atom.