Li3Mn(PO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(14), one O(15), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(16), one O(2), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(15), and one O(5) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(12), one O(16), one O(2), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(13), one O(3), one O(7), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(4), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(14), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(3), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(6), and one P(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(5), one Mn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(6), one Mn(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Mn(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Mn(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(4) atom.
Li3Mn(PO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(14), one O(15), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The Li(1)-O(1) bond length is 2.03 Å. The Li(1)-O(10) bond length is 2.19 Å. The Li(1)-O(11) bond length is 2.37 Å. The Li(1)-O(14) bond length is 2.38 Å. The Li(1)-O(15) bond length is 2.19 Å. The Li(1)-O(4) bond length is 2.03 Å. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(16), one O(2), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The Li(2)-O(12) bond length is 2.36 Å. The Li(2)-O(13) bond length is 2.37 Å. The Li(2)-O(16) bond length is 2.20 Å. The Li(2)-O(2) bond length is 2.02 Å. The Li(2)-O(3) bond length is 2.02 Å. The Li(2)-O(9) bond length is 2.19 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(15), and one O(5) atom. The Li(3)-O(1) bond length is 1.95 Å. The Li(3)-O(11) bond length is 2.20 Å. The Li(3)-O(15) bond length is 2.06 Å. The Li(3)-O(5) bond length is 2.06 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(12), one O(16), one O(2), and one O(6) atom. The Li(4)-O(12) bond length is 2.19 Å. The Li(4)-O(16) bond length is 2.06 Å. The Li(4)-O(2) bond length is 1.95 Å. The Li(4)-O(6) bond length is 2.06 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(13), one O(3), one O(7), and one O(9) atom. The Li(5)-O(13) bond length is 2.19 Å. The Li(5)-O(3) bond length is 1.95 Å. The Li(5)-O(7) bond length is 2.06 Å. The Li(5)-O(9) bond length is 2.06 Å. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(4), and one O(8) atom. The Li(6)-O(10) bond length is 2.06 Å. The Li(6)-O(14) bond length is 2.19 Å. The Li(6)-O(4) bond length is 1.95 Å. The Li(6)-O(8) bond length is 2.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. The Mn(1)-O(10) bond length is 2.29 Å. The Mn(1)-O(12) bond length is 1.98 Å. The Mn(1)-O(14) bond length is 1.98 Å. The Mn(1)-O(16) bond length is 2.29 Å. The Mn(1)-O(6) bond length is 1.96 Å. The Mn(1)-O(8) bond length is 1.96 Å. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. The Mn(2)-O(11) bond length is 1.98 Å. The Mn(2)-O(13) bond length is 1.98 Å. The Mn(2)-O(15) bond length is 2.29 Å. The Mn(2)-O(5) bond length is 1.96 Å. The Mn(2)-O(7) bond length is 1.96 Å. The Mn(2)-O(9) bond length is 2.29 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. The P(1)-O(13) bond length is 1.59 Å. The P(1)-O(2) bond length is 1.51 Å. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(9) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(1), one O(10), one O(14), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. The P(2)-O(1) bond length is 1.51 Å. The P(2)-O(10) bond length is 1.55 Å. The P(2)-O(14) bond length is 1.59 Å. The P(2)-O(6) bond length is 1.57 Å. In the third P site, P(3) is bonded to one O(11), one O(15), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. The P(3)-O(11) bond length is 1.59 Å. The P(3)-O(15) bond length is 1.55 Å. The P(3)-O(4) bond length is 1.51 Å. The P(3)-O(7) bond length is 1.57 Å. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(3), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. The P(4)-O(12) bond length is 1.59 Å. The P(4)-O(16) bond length is 1.55 Å. The P(4)-O(3) bond length is 1.51 Å. The P(4)-O(8) bond length is 1.57 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(6), and one P(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(4), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(5), one Mn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(6), one Mn(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Mn(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Mn(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Mn(1), and one P(4) atom.