LiMn2P2H9O13 crystallizes in the orthorhombic Pba2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(7) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(4), and one H(5) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one H(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a water-like geometry to one Li(1), one Mn(1), one H(2), and one H(3) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one P(1), one H(2), one H(3), and one H(4) atom.
LiMn2P2H9O13 crystallizes in the orthorhombic Pba2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(7) atoms. Both Li(1)-O(3) bond lengths are 2.45 Å. Both Li(1)-O(7) bond lengths are 2.25 Å. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(2) bond length is 1.94 Å. The Mn(1)-O(3) bond length is 2.31 Å. The Mn(1)-O(5) bond length is 1.89 Å. The Mn(1)-O(6) bond length is 2.14 Å. The Mn(1)-O(7) bond length is 2.13 Å. P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.53 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(4) atom. The H(2)-O(3) bond length is 1.00 Å. The H(2)-O(4) bond length is 1.77 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one O(4) atom. The H(3)-O(3) bond length is 1.00 Å. The H(3)-O(4) bond length is 1.68 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. The H(4)-O(4) bond length is 1.60 Å. The H(4)-O(7) bond length is 1.02 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. The H(5)-O(7) bond length is 0.99 Å. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(4), and one H(5) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one H(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a water-like geometry to one Li(1), one Mn(1), one H(2), and one H(3) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one P(1), one H(2), one H(3), and one H(4) atom.