Li3Mn2(SiO4)2 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(2), and one Si(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Si(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(1), and one Si(1) atom to form corner-sharing OLi2MnSi tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(1), and one Si(2) atom to form corner-sharing OLi2MnSi tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Mn(2), and one Si(1) atom to form corner-sharing OLi2MnSi tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Mn(2), and one Si(2) atom to form corner-sharing OLi2MnSi tetrahedra.
Li3Mn2(SiO4)2 crystallizes in the monoclinic Pc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(3) bond length is 1.93 Å. The Li(1)-O(5) bond length is 2.01 Å. The Li(1)-O(8) bond length is 2.21 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Li(2)-O(1) bond length is 2.08 Å. The Li(2)-O(4) bond length is 1.95 Å. The Li(2)-O(6) bond length is 1.97 Å. The Li(2)-O(7) bond length is 2.11 Å. In the third Li site, Li(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Li(3)-O(5) bond length is 2.00 Å. The Li(3)-O(6) bond length is 1.93 Å. The Li(3)-O(7) bond length is 2.12 Å. The Li(3)-O(8) bond length is 2.11 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Mn(1)-O(3) bond length is 2.07 Å. The Mn(1)-O(4) bond length is 2.03 Å. The Mn(1)-O(5) bond length is 2.10 Å. The Mn(1)-O(6) bond length is 2.08 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Mn(2)-O(1) bond length is 1.87 Å. The Mn(2)-O(2) bond length is 1.87 Å. The Mn(2)-O(7) bond length is 2.04 Å. The Mn(2)-O(8) bond length is 1.95 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. The Si(1)-O(2) bond length is 1.66 Å. The Si(1)-O(4) bond length is 1.63 Å. The Si(1)-O(5) bond length is 1.66 Å. The Si(1)-O(7) bond length is 1.69 Å. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. The Si(2)-O(1) bond length is 1.66 Å. The Si(2)-O(3) bond length is 1.62 Å. The Si(2)-O(6) bond length is 1.64 Å. The Si(2)-O(8) bond length is 1.68 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(2), and one Si(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Si(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(1), and one Si(1) atom to form corner-sharing OLi2MnSi tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(1), and one Si(2) atom to form corner-sharing OLi2MnSi tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Mn(2), and one Si(1) atom to form corner-sharing OLi2MnSi tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Mn(2), and one Si(2) atom to form corner-sharing OLi2MnSi tetrahedra.