Li2Mn3GaO8 is Spinel-derived structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. Ga(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form GaO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Mn(1), one Mn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Ga(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Ga(1) atom. In the seventh O site, O(7) is bonded to one Li(2), one Mn(1), one Mn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Mn(1), one Mn(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids.
Li2Mn3GaO8 is Spinel-derived structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-66°. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(4) bond length is 1.99 Å. The Li(1)-O(5) bond length is 2.06 Å. In the second Li site, Li(2) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. The Li(2)-O(2) bond length is 2.00 Å. The Li(2)-O(6) bond length is 2.04 Å. The Li(2)-O(7) bond length is 1.98 Å. The Li(2)-O(8) bond length is 1.97 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(2) bond length is 1.94 Å. The Mn(1)-O(3) bond length is 1.95 Å. The Mn(1)-O(4) bond length is 1.94 Å. The Mn(1)-O(7) bond length is 1.94 Å. The Mn(1)-O(8) bond length is 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The Mn(2)-O(1) bond length is 2.21 Å. The Mn(2)-O(2) bond length is 2.19 Å. The Mn(2)-O(3) bond length is 1.97 Å. The Mn(2)-O(5) bond length is 2.00 Å. The Mn(2)-O(6) bond length is 2.00 Å. The Mn(2)-O(8) bond length is 1.97 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The Mn(3)-O(1) bond length is 1.93 Å. The Mn(3)-O(2) bond length is 1.93 Å. The Mn(3)-O(4) bond length is 1.96 Å. The Mn(3)-O(5) bond length is 1.95 Å. The Mn(3)-O(6) bond length is 1.96 Å. The Mn(3)-O(7) bond length is 1.96 Å. Ga(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form GaO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Ga(1)-O(3) bond length is 2.01 Å. The Ga(1)-O(4) bond length is 2.04 Å. The Ga(1)-O(5) bond length is 2.02 Å. The Ga(1)-O(6) bond length is 2.00 Å. The Ga(1)-O(7) bond length is 2.03 Å. The Ga(1)-O(8) bond length is 2.01 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Mn(1), one Mn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Ga(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Ga(1) atom. In the seventh O site, O(7) is bonded to one Li(2), one Mn(1), one Mn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Mn(1), one Mn(2), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Ga trigonal pyramids.