Li2MnH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(5) atom. S(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one H(1), and one S(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 S(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(2), and one S(1) atom.
Li2MnH4(SO5)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Li(1)-O(1) bond length is 2.50 Å. The Li(1)-O(2) bond length is 2.14 Å. The Li(1)-O(3) bond length is 2.04 Å. The Li(1)-O(4) bond length is 2.28 Å. The Li(1)-O(5) bond length is 2.19 Å. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. Both Mn(1)-O(2) bond lengths are 2.18 Å. Both Mn(1)-O(3) bond lengths are 2.21 Å. Both Mn(1)-O(4) bond lengths are 2.19 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(3) atom. The H(1)-O(1) bond length is 1.73 Å. The H(1)-O(3) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(5) atom. The H(2)-O(3) bond length is 1.00 Å. The H(2)-O(5) bond length is 1.70 Å. S(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. The S(1)-O(1) bond length is 1.47 Å. The S(1)-O(2) bond length is 1.51 Å. The S(1)-O(4) bond length is 1.51 Å. The S(1)-O(5) bond length is 1.49 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one H(1), and one S(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 S(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(2), and one S(1) atom.