Li9Mn3(WO4)7 crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent W sites. In the first W site, W(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. In the second W site, W(1) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form distorted edge-sharing WO6 octahedra. In the third W site, W(3) is bonded in a tetrahedral geometry to one O(4), one O(8), and two equivalent O(3) atoms. Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Li(1), one W(2), two equivalent W(1), and one Mn(1) atom to form distorted edge-sharing OLi2MnW3 octahedra. In the second O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one W(3), and one Mn(1) atom. In the fourth O site, O(7) is bonded in a 6-coordinate geometry to three equivalent Li(2) and three equivalent W(1) atoms. In the fifth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Li(2) and one W(3) atom. In the sixth O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(1), and one W(1) atom. In the seventh O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1), one W(2), and one Mn(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one W(3) atom.
Li9Mn3(WO4)7 crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 2.30 Å. The Li(1)-O(2) bond length is 2.22 Å. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(4) bond length is 2.05 Å. The Li(1)-O(5) bond length is 2.57 Å. The Li(1)-O(6) bond length is 2.11 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(6), and two equivalent O(8) atoms. The Li(2)-O(1) bond length is 2.12 Å. The Li(2)-O(7) bond length is 2.61 Å. Both Li(2)-O(6) bond lengths are 2.31 Å. Both Li(2)-O(8) bond lengths are 2.00 Å. There are three inequivalent W sites. In the first W site, W(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. All W(2)-O(2) bond lengths are 1.89 Å. All W(2)-O(5) bond lengths are 2.24 Å. In the second W site, W(1) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form distorted edge-sharing WO6 octahedra. The W(1)-O(1) bond length is 1.82 Å. The W(1)-O(7) bond length is 2.18 Å. Both W(1)-O(5) bond lengths are 2.18 Å. Both W(1)-O(6) bond lengths are 1.85 Å. In the third W site, W(3) is bonded in a tetrahedral geometry to one O(4), one O(8), and two equivalent O(3) atoms. The W(3)-O(4) bond length is 1.81 Å. The W(3)-O(8) bond length is 1.80 Å. Both W(3)-O(3) bond lengths are 1.83 Å. Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms. The Mn(1)-O(2) bond length is 2.06 Å. The Mn(1)-O(5) bond length is 2.53 Å. Both Mn(1)-O(3) bond lengths are 2.10 Å. Both Mn(1)-O(6) bond lengths are 2.25 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Li(1), one W(2), two equivalent W(1), and one Mn(1) atom to form distorted edge-sharing OLi2MnW3 octahedra. In the second O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one W(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one W(3), and one Mn(1) atom. In the fourth O site, O(7) is bonded in a 6-coordinate geometry to three equivalent Li(2) and three equivalent W(1) atoms. In the fifth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Li(2) and one W(3) atom. In the sixth O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), two equivalent Li(1), and one W(1) atom. In the seventh O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1), one W(2), and one Mn(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one W(3) atom.