LiV4Mn2O8 crystallizes in the triclinic P1 space group. Li(1) is bonded to one V(1), one V(2), one V(3), one V(4), one O(1), one O(3), one O(4), and one O(8) atom to form distorted LiV4O4 tetrahedra that share corners with four equivalent Mn(1)O4 tetrahedra. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the third V site, V(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the fourth V site, V(4) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form MnO4 tetrahedra that share corners with four equivalent Li(1)V4O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one V(1), one V(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(4), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one V(1), one V(2), one V(4), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one V(2), one V(3), one V(4), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(4), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one V(1), one V(3), one V(4), and one Mn(1) atom.
LiV4Mn2O8 crystallizes in the triclinic P1 space group. Li(1) is bonded to one V(1), one V(2), one V(3), one V(4), one O(1), one O(3), one O(4), and one O(8) atom to form distorted LiV4O4 tetrahedra that share corners with four equivalent Mn(1)O4 tetrahedra. The Li(1)-V(1) bond length is 2.08 Å. The Li(1)-V(2) bond length is 2.07 Å. The Li(1)-V(3) bond length is 2.07 Å. The Li(1)-V(4) bond length is 2.08 Å. The Li(1)-O(1) bond length is 1.76 Å. The Li(1)-O(3) bond length is 1.73 Å. The Li(1)-O(4) bond length is 1.76 Å. The Li(1)-O(8) bond length is 1.73 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. The V(1)-O(1) bond length is 2.28 Å. The V(1)-O(2) bond length is 2.04 Å. The V(1)-O(3) bond length is 2.23 Å. The V(1)-O(5) bond length is 2.04 Å. The V(1)-O(6) bond length is 2.11 Å. The V(1)-O(8) bond length is 2.22 Å. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom. The V(2)-O(1) bond length is 2.18 Å. The V(2)-O(2) bond length is 2.03 Å. The V(2)-O(3) bond length is 2.21 Å. The V(2)-O(4) bond length is 2.18 Å. The V(2)-O(6) bond length is 2.03 Å. The V(2)-O(7) bond length is 2.02 Å. In the third V site, V(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The V(3)-O(1) bond length is 2.17 Å. The V(3)-O(4) bond length is 2.18 Å. The V(3)-O(5) bond length is 2.04 Å. The V(3)-O(6) bond length is 2.02 Å. The V(3)-O(7) bond length is 2.03 Å. The V(3)-O(8) bond length is 2.21 Å. In the fourth V site, V(4) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The V(4)-O(2) bond length is 2.05 Å. The V(4)-O(3) bond length is 2.24 Å. The V(4)-O(4) bond length is 2.27 Å. The V(4)-O(5) bond length is 2.05 Å. The V(4)-O(7) bond length is 2.11 Å. The V(4)-O(8) bond length is 2.24 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form MnO4 tetrahedra that share corners with four equivalent Li(1)V4O4 tetrahedra. The Mn(1)-O(1) bond length is 2.13 Å. The Mn(1)-O(3) bond length is 2.12 Å. The Mn(1)-O(4) bond length is 2.14 Å. The Mn(1)-O(8) bond length is 2.12 Å. In the second Mn site, Mn(2) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(6), and one O(7) atom. The Mn(2)-O(2) bond length is 2.12 Å. The Mn(2)-O(5) bond length is 2.12 Å. The Mn(2)-O(6) bond length is 2.13 Å. The Mn(2)-O(7) bond length is 2.13 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one V(1), one V(2), one V(3), and one Mn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(4), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one V(1), one V(2), one V(4), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one V(2), one V(3), one V(4), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(4), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one V(1), one V(3), one V(4), and one Mn(1) atom.