LiMn3H6(SeO3)8 crystallizes in the trigonal R-3 space group. Li(1) is bonded in an octahedral geometry to six equivalent O(4) atoms. Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(2) and one O(4) atom. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. In the second Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one H(1), and one Se(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(1), and one Se(2) atom.
LiMn3H6(SeO3)8 crystallizes in the trigonal R-3 space group. Li(1) is bonded in an octahedral geometry to six equivalent O(4) atoms. All Li(1)-O(4) bond lengths are 2.18 Å. Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Mn(1)-O(1) bond lengths are 1.96 Å. Both Mn(1)-O(2) bond lengths are 2.34 Å. Both Mn(1)-O(3) bond lengths are 1.93 Å. H(1) is bonded in a single-bond geometry to one O(2) and one O(4) atom. The H(1)-O(2) bond length is 1.71 Å. The H(1)-O(4) bond length is 1.01 Å. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. The Se(2)-O(2) bond length is 1.69 Å. The Se(2)-O(3) bond length is 1.73 Å. The Se(2)-O(4) bond length is 1.81 Å. In the second Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. All Se(1)-O(1) bond lengths are 1.74 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one H(1), and one Se(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(1), and one Se(2) atom.