LiMnP2HO7 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(7), and two equivalent O(2) atoms. Mn(1) is bonded to one O(2), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-56°. H(1) is bonded in a linear geometry to one O(1) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one P(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom.
LiMnP2HO7 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(7), and two equivalent O(2) atoms. The Li(1)-O(1) bond length is 2.31 Å. The Li(1)-O(7) bond length is 2.00 Å. There is one shorter (2.09 Å) and one longer (2.55 Å) Li(1)-O(2) bond length. Mn(1) is bonded to one O(2), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The Mn(1)-O(2) bond length is 2.27 Å. The Mn(1)-O(4) bond length is 2.20 Å. The Mn(1)-O(6) bond length is 2.11 Å. The Mn(1)-O(7) bond length is 2.22 Å. There is one shorter (2.25 Å) and one longer (2.26 Å) Mn(1)-O(5) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-62°. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.59 Å. The P(1)-O(5) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-56°. The P(2)-O(3) bond length is 1.65 Å. The P(2)-O(4) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.51 Å. The P(2)-O(7) bond length is 1.53 Å. H(1) is bonded in a linear geometry to one O(1) and one O(4) atom. The H(1)-O(1) bond length is 1.05 Å. The H(1)-O(4) bond length is 1.49 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one P(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom.