Li2Mn3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) 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, and corners with two equivalent P(2)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-59°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(5)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-52°. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(5)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fifth P site, P(5) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form corner-sharing PO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to 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 bent 150 degrees geometry to one P(4) and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom.
Li2Mn3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(7) atom. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(7) bond length is 2.32 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Both Mn(1)-O(13) bond lengths are 1.92 Å. Both Mn(1)-O(7) bond lengths are 2.17 Å. Both Mn(1)-O(9) bond lengths are 1.91 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) 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, and corners with two equivalent P(2)O4 tetrahedra. The Mn(2)-O(1) bond length is 2.31 Å. The Mn(2)-O(2) bond length is 2.17 Å. The Mn(2)-O(3) bond length is 2.07 Å. The Mn(2)-O(4) bond length is 1.96 Å. The Mn(2)-O(5) bond length is 1.88 Å. The Mn(2)-O(6) bond length is 1.94 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-59°. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(10) bond length is 1.57 Å. The P(1)-O(11) bond length is 1.61 Å. The P(1)-O(6) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-58°. The P(2)-O(12) bond length is 1.61 Å. The P(2)-O(2) bond length is 1.52 Å. The P(2)-O(5) bond length is 1.52 Å. The P(2)-O(9) bond length is 1.52 Å. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(5)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-52°. The P(3)-O(11) bond length is 1.63 Å. The P(3)-O(14) bond length is 1.57 Å. The P(3)-O(4) bond length is 1.53 Å. The P(3)-O(7) bond length is 1.51 Å. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(5)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-58°. The P(4)-O(12) bond length is 1.60 Å. The P(4)-O(13) bond length is 1.51 Å. The P(4)-O(3) bond length is 1.54 Å. The P(4)-O(8) bond length is 1.59 Å. In the fifth P site, P(5) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form corner-sharing PO6 octahedra. Both P(5)-O(10) bond lengths are 1.70 Å. Both P(5)-O(14) bond lengths are 1.72 Å. Both P(5)-O(8) bond lengths are 1.77 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to 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 bent 150 degrees geometry to one P(4) and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom.