LiMn5O10 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(5), one O(7), and one O(8) atom. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(4), one O(9), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(9), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the fifth Mn site, Mn(5) is bonded to one O(7), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(5) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Mn(3), and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(1), one Mn(1), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one Mn(4) atom.
LiMn5O10 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(5), one O(7), and one O(8) atom. The Li(1)-O(10) bond length is 2.07 Å. The Li(1)-O(2) bond length is 2.11 Å. The Li(1)-O(5) bond length is 2.28 Å. The Li(1)-O(7) bond length is 2.40 Å. The Li(1)-O(8) bond length is 1.99 Å. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 15°. The Mn(1)-O(1) bond length is 2.12 Å. The Mn(1)-O(6) bond length is 2.04 Å. The Mn(1)-O(7) bond length is 2.02 Å. The Mn(1)-O(8) bond length is 1.86 Å. There is one shorter (1.84 Å) and one longer (1.86 Å) Mn(1)-O(5) bond length. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. The Mn(2)-O(1) bond length is 2.00 Å. The Mn(2)-O(3) bond length is 2.22 Å. The Mn(2)-O(4) bond length is 2.02 Å. The Mn(2)-O(6) bond length is 2.22 Å. The Mn(2)-O(7) bond length is 1.96 Å. The Mn(2)-O(9) bond length is 1.94 Å. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(4), one O(9), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 14°. The Mn(3)-O(10) bond length is 1.87 Å. The Mn(3)-O(3) bond length is 2.02 Å. The Mn(3)-O(4) bond length is 2.15 Å. The Mn(3)-O(9) bond length is 2.03 Å. There is one shorter (1.84 Å) and one longer (1.85 Å) Mn(3)-O(2) bond length. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(9), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 10°. The Mn(4)-O(10) bond length is 1.84 Å. The Mn(4)-O(9) bond length is 1.88 Å. There is one shorter (1.94 Å) and one longer (2.00 Å) Mn(4)-O(3) bond length. There is one shorter (1.96 Å) and one longer (2.06 Å) Mn(4)-O(4) bond length. In the fifth Mn site, Mn(5) is bonded to one O(7), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 10°. The Mn(5)-O(7) bond length is 1.90 Å. The Mn(5)-O(8) bond length is 1.84 Å. There is one shorter (1.97 Å) and one longer (2.05 Å) Mn(5)-O(1) bond length. There is one shorter (1.95 Å) and one longer (1.97 Å) Mn(5)-O(6) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(5) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Mn(3), and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(1), one Mn(1), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one Mn(4) atom.