LiMn2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded to one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 51-57°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-58°. In the third P site, P(3) is bonded to two equivalent O(7) and two equivalent O(9) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 23-47°. In the fourth P site, P(4) is bonded to two equivalent O(1) and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom.
LiMn2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded to one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-65°. The Li(1)-O(12) bond length is 2.48 Å. The Li(1)-O(2) bond length is 2.57 Å. The Li(1)-O(4) bond length is 2.48 Å. The Li(1)-O(5) bond length is 2.64 Å. The Li(1)-O(7) bond length is 2.46 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Mn(1)-O(1) bond length is 1.93 Å. The Mn(1)-O(2) bond length is 2.19 Å. The Mn(1)-O(5) bond length is 2.00 Å. The Mn(1)-O(6) bond length is 2.03 Å. The Mn(1)-O(7) bond length is 1.92 Å. The Mn(1)-O(8) bond length is 2.28 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O6 octahedra. The Mn(2)-O(12) bond length is 1.92 Å. The Mn(2)-O(3) bond length is 1.99 Å. The Mn(2)-O(4) bond length is 2.23 Å. The Mn(2)-O(6) bond length is 2.28 Å. The Mn(2)-O(8) bond length is 2.03 Å. The Mn(2)-O(9) bond length is 1.93 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 51-57°. The P(1)-O(11) bond length is 1.61 Å. The P(1)-O(2) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(6) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(10), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-58°. The P(2)-O(10) bond length is 1.61 Å. The P(2)-O(4) bond length is 1.51 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.55 Å. In the third P site, P(3) is bonded to two equivalent O(7) and two equivalent O(9) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 23-47°. Both P(3)-O(7) bond lengths are 1.57 Å. Both P(3)-O(9) bond lengths are 1.52 Å. In the fourth P site, P(4) is bonded to two equivalent O(1) and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-47°. Both P(4)-O(1) bond lengths are 1.53 Å. Both P(4)-O(12) bond lengths are 1.57 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom.