Li10Mn3F16 crystallizes in the trigonal R-3m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with three equivalent Li(2)F6 octahedra, corners with three equivalent Mn(1)F4 tetrahedra,  an edgeedge with one Li(3)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with four equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the second Li site, Li(2) is bonded to two equivalent F(4) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Li(1)F6 octahedra, edges with two equivalent Mn(2)F6 octahedra, edges with four equivalent Li(1)F6 octahedra, and edges with four equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the third Li site, Li(3) is bonded to six equivalent F(3) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F4 tetrahedra and edges with six equivalent Li(1)F6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2) and three equivalent F(3) atoms to form MnF4 tetrahedra that share corners with three equivalent Li(3)F6 octahedra and corners with nine equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Mn site, Mn(2) is bonded to six equivalent F(1) atoms to form MnF6 octahedra that share edges with six equivalent Li(1)F6 octahedra and edges with six equivalent Li(2)F6 octahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1), two equivalent Li(2), and one Mn(2) atom to form FLi4Mn square pyramids that share corners with five equivalent F(1)Li4Mn square pyramids, edges with three equivalent F(4)Li6 octahedra, edges with four equivalent F(1)Li4Mn square pyramids, and  an edgeedge with one F(2)Li3Mn tetrahedra. In the second F site, F(2) is bonded to three equivalent Li(1) and one Mn(1) atom to form distorted FLi3Mn tetrahedra that share corners with three equivalent F(4)Li6 octahedra and edges with three equivalent F(1)Li4Mn square pyramids. The corner-sharing octahedral tilt angles are 7°. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one Mn(1) atom. In the fourth F site, F(4) is bonded to three equivalent Li(1) and three equivalent Li(2) atoms to form FLi6 octahedra that share corners with three equivalent F(4)Li6 octahedra, corners with three equivalent F(2)Li3Mn tetrahedra, and edges with nine equivalent F(1)Li4Mn square pyramids. The corner-sharing octahedra are not tilted.
Li10Mn3F16 crystallizes in the trigonal R-3m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with three equivalent Li(2)F6 octahedra, corners with three equivalent Mn(1)F4 tetrahedra,  an edgeedge with one Li(3)F6 octahedra,  an edgeedge with one Mn(2)F6 octahedra, edges with two equivalent Li(2)F6 octahedra, and edges with four equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. The Li(1)-F(2) bond length is 2.07 Å. The Li(1)-F(4) bond length is 2.16 Å. Both Li(1)-F(1) bond lengths are 2.16 Å. Both Li(1)-F(3) bond lengths are 1.99 Å. In the second Li site, Li(2) is bonded to two equivalent F(4) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Li(1)F6 octahedra, edges with two equivalent Mn(2)F6 octahedra, edges with four equivalent Li(1)F6 octahedra, and edges with four equivalent Li(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. Both Li(2)-F(4) bond lengths are 2.09 Å. All Li(2)-F(1) bond lengths are 2.13 Å. In the third Li site, Li(3) is bonded to six equivalent F(3) atoms to form LiF6 octahedra that share corners with six equivalent Mn(1)F4 tetrahedra and edges with six equivalent Li(1)F6 octahedra. All Li(3)-F(3) bond lengths are 2.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2) and three equivalent F(3) atoms to form MnF4 tetrahedra that share corners with three equivalent Li(3)F6 octahedra and corners with nine equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. The Mn(1)-F(2) bond length is 2.06 Å. All Mn(1)-F(3) bond lengths are 2.01 Å. In the second Mn site, Mn(2) is bonded to six equivalent F(1) atoms to form MnF6 octahedra that share edges with six equivalent Li(1)F6 octahedra and edges with six equivalent Li(2)F6 octahedra. All Mn(2)-F(1) bond lengths are 2.10 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1), two equivalent Li(2), and one Mn(2) atom to form FLi4Mn square pyramids that share corners with five equivalent F(1)Li4Mn square pyramids, edges with three equivalent F(4)Li6 octahedra, edges with four equivalent F(1)Li4Mn square pyramids, and  an edgeedge with one F(2)Li3Mn tetrahedra. In the second F site, F(2) is bonded to three equivalent Li(1) and one Mn(1) atom to form distorted FLi3Mn tetrahedra that share corners with three equivalent F(4)Li6 octahedra and edges with three equivalent F(1)Li4Mn square pyramids. The corner-sharing octahedral tilt angles are 7°. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one Mn(1) atom. In the fourth F site, F(4) is bonded to three equivalent Li(1) and three equivalent Li(2) atoms to form FLi6 octahedra that share corners with three equivalent F(4)Li6 octahedra, corners with three equivalent F(2)Li3Mn tetrahedra, and edges with nine equivalent F(1)Li4Mn square pyramids. The corner-sharing octahedra are not tilted.