LiMnP3H8O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(10), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) and one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(6) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(1), and one H(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mn(1), one H(4), and one H(8) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Mn(2), one H(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Li(1), one H(6), and one H(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one P(3) and one H(3) atom.
LiMnP3H8O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom. The Li(1)-O(1) bond length is 2.31 Å. The Li(1)-O(10) bond length is 2.60 Å. The Li(1)-O(2) bond length is 2.43 Å. The Li(1)-O(3) bond length is 2.19 Å. The Li(1)-O(5) bond length is 2.61 Å. The Li(1)-O(8) bond length is 2.32 Å. The Li(1)-O(9) bond length is 2.51 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra. Both Mn(1)-O(2) bond lengths are 2.22 Å. Both Mn(1)-O(5) bond lengths are 2.16 Å. Both Mn(1)-O(6) bond lengths are 2.22 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(10), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. Both Mn(2)-O(10) bond lengths are 2.10 Å. Both Mn(2)-O(7) bond lengths are 2.33 Å. Both Mn(2)-O(9) bond lengths are 2.13 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(12) bond length is 1.63 Å. The P(1)-O(4) bond length is 1.64 Å. The P(1)-O(5) bond length is 1.50 Å. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The P(2)-O(10) bond length is 1.51 Å. The P(2)-O(11) bond length is 1.66 Å. The P(2)-O(3) bond length is 1.48 Å. The P(2)-O(4) bond length is 1.63 Å. In the third P site, P(3) is bonded to one O(11), one O(12), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. The P(3)-O(11) bond length is 1.64 Å. The P(3)-O(12) bond length is 1.61 Å. The P(3)-O(13) bond length is 1.50 Å. The P(3)-O(9) bond length is 1.51 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. The H(2)-O(7) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) and one O(2) atom. The H(3)-O(13) bond length is 1.70 Å. The H(3)-O(2) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. The H(4)-O(6) bond length is 0.99 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 0.98 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(8) atom. The H(6)-O(8) bond length is 0.99 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. The H(7)-O(8) bond length is 0.99 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(6) atom. The H(8)-O(6) bond length is 0.99 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(1), and one H(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mn(1), one H(4), and one H(8) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Mn(2), one H(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Li(1), one H(6), and one H(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one P(3) and one H(3) atom.