Li3MnP2HO8 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 78°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-58°. In the second P site, P(2) is bonded to one O(1), one O(5), 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 Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. H(1) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one P(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(1), and one P(1) atom.
Li3MnP2HO8 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(6) atom. The Li(1)-O(3) bond length is 1.96 Å. The Li(1)-O(5) bond length is 2.05 Å. The Li(1)-O(6) bond length is 2.07 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. The Li(2)-O(1) bond length is 2.01 Å. The Li(2)-O(4) bond length is 2.00 Å. The Li(2)-O(5) bond length is 2.04 Å. The Li(2)-O(6) bond length is 2.05 Å. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 78°. The Li(3)-O(2) bond length is 1.95 Å. The Li(3)-O(3) bond length is 2.00 Å. The Li(3)-O(7) bond length is 2.06 Å. The Li(3)-O(8) bond length is 1.93 Å. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The Mn(1)-O(1) bond length is 2.22 Å. The Mn(1)-O(2) bond length is 2.14 Å. The Mn(1)-O(3) bond length is 2.27 Å. The Mn(1)-O(5) bond length is 2.27 Å. The Mn(1)-O(6) bond length is 2.30 Å. The Mn(1)-O(8) bond length is 2.15 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-58°. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.58 Å. The P(1)-O(8) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(1), one O(5), 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 Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.61 Å. H(1) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. The H(1)-O(4) bond length is 1.32 Å. The H(1)-O(7) bond length is 1.12 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one P(2), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(1), and one P(1) atom.