MnSe3O8 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(8) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(3) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(3) atom. In the third O site, O(7) is bonded in a single-bond geometry to one Se(3) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one Se(1) and one Se(2) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom.
MnSe3O8 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 2.00 Å. The Mn(1)-O(3) bond length is 1.96 Å. The Mn(1)-O(4) bond length is 1.98 Å. The Mn(1)-O(5) bond length is 1.90 Å. The Mn(1)-O(6) bond length is 1.91 Å. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(8) atom. The Se(1)-O(1) bond length is 1.70 Å. The Se(1)-O(2) bond length is 1.72 Å. The Se(1)-O(8) bond length is 1.84 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(8) atom. The Se(2)-O(3) bond length is 1.72 Å. The Se(2)-O(4) bond length is 1.72 Å. The Se(2)-O(8) bond length is 1.83 Å. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. The Se(3)-O(5) bond length is 1.79 Å. The Se(3)-O(6) bond length is 1.81 Å. The Se(3)-O(7) bond length is 1.66 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(3) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(3) atom. In the third O site, O(7) is bonded in a single-bond geometry to one Se(3) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one Se(1) and one Se(2) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom.