LiMnP2HO7 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(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 to one O(2), one O(5), one O(7), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Li(1)-O(2) bond length is 2.12 Å. The Li(1)-O(5) bond length is 2.14 Å. The Li(1)-O(7) bond length is 2.47 Å. There is one shorter (1.98 Å) and one longer (2.07 Å) Li(1)-O(3) bond length. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and two equivalent O(4) atoms. The Mn(1)-O(1) bond length is 2.22 Å. The Mn(1)-O(2) bond length is 2.30 Å. The Mn(1)-O(3) bond length is 2.48 Å. The Mn(1)-O(7) bond length is 2.15 Å. There is one shorter (2.24 Å) and one longer (2.36 Å) Mn(1)-O(4) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(6) bond length is 1.61 Å. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. The P(2)-O(2) bond length is 1.52 Å. The P(2)-O(5) bond length is 1.59 Å. The P(2)-O(6) bond length is 1.61 Å. The P(2)-O(7) bond length is 1.52 Å. H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. The H(1)-O(1) bond length is 1.43 Å. The H(1)-O(5) bond length is 1.06 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(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.