LiMn2(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(23), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(11), one O(15), one O(2), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(14), and one O(16) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(20), one O(23), one O(3), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(14), one O(17), one O(22), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(10), one O(15), one O(16), one O(7), and one O(8) atom. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(18), one O(19), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(18), one O(19), one O(24), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. In the sixth Mn site, Mn(6) is bonded to one O(18), one O(19), one O(21), one O(4), and one O(5) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(21), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, and  a cornercorner with one Mn(2)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(13), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(12), one O(4), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(15), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. In the sixth P site, P(6) is bonded to one O(16), one O(17), one O(18), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(6) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Mn(5), and one P(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Mn(4), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one P(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(3), one Mn(5), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(2), one Mn(3), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(3), one Mn(3), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), one Mn(5), one Mn(6), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), one Mn(5), one Mn(6), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Mn(6) and one P(1) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Mn(5) and one P(1) atom.
LiMn2(PO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(23), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a cornercorner with one Mn(1)O5 trigonal bipyramid. The Li(1)-O(1) bond length is 1.87 Å. The Li(1)-O(10) bond length is 1.93 Å. The Li(1)-O(23) bond length is 2.09 Å. The Li(1)-O(9) bond length is 1.99 Å. In the second Li site, Li(2) is bonded to one O(11), one O(15), one O(2), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. The Li(2)-O(11) bond length is 1.93 Å. The Li(2)-O(15) bond length is 2.07 Å. The Li(2)-O(2) bond length is 1.86 Å. The Li(2)-O(6) bond length is 2.06 Å. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(14), and one O(16) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. The Li(3)-O(1) bond length is 1.87 Å. The Li(3)-O(12) bond length is 2.18 Å. The Li(3)-O(14) bond length is 1.96 Å. The Li(3)-O(16) bond length is 2.00 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(20), one O(23), one O(3), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The Mn(1)-O(20) bond length is 1.94 Å. The Mn(1)-O(23) bond length is 2.01 Å. The Mn(1)-O(3) bond length is 1.94 Å. The Mn(1)-O(7) bond length is 2.10 Å. The Mn(1)-O(8) bond length is 2.36 Å. In the second Mn site, Mn(2) is bonded to one O(14), one O(17), one O(22), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The Mn(2)-O(14) bond length is 2.07 Å. The Mn(2)-O(17) bond length is 1.99 Å. The Mn(2)-O(22) bond length is 1.99 Å. The Mn(2)-O(7) bond length is 2.27 Å. The Mn(2)-O(8) bond length is 2.24 Å. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(10), one O(15), one O(16), one O(7), and one O(8) atom. The Mn(3)-O(10) bond length is 2.08 Å. The Mn(3)-O(15) bond length is 2.08 Å. The Mn(3)-O(16) bond length is 2.15 Å. The Mn(3)-O(7) bond length is 2.62 Å. The Mn(3)-O(8) bond length is 2.30 Å. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(18), one O(19), and one O(9) atom. The Mn(4)-O(11) bond length is 2.09 Å. The Mn(4)-O(13) bond length is 2.04 Å. The Mn(4)-O(18) bond length is 2.30 Å. The Mn(4)-O(19) bond length is 2.54 Å. The Mn(4)-O(9) bond length is 2.14 Å. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(18), one O(19), one O(24), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The Mn(5)-O(12) bond length is 2.10 Å. The Mn(5)-O(18) bond length is 2.34 Å. The Mn(5)-O(19) bond length is 2.35 Å. The Mn(5)-O(24) bond length is 1.99 Å. The Mn(5)-O(6) bond length is 2.08 Å. In the sixth Mn site, Mn(6) is bonded to one O(18), one O(19), one O(21), one O(4), and one O(5) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. The Mn(6)-O(18) bond length is 2.40 Å. The Mn(6)-O(19) bond length is 2.07 Å. The Mn(6)-O(21) bond length is 1.95 Å. The Mn(6)-O(4) bond length is 1.94 Å. The Mn(6)-O(5) bond length is 1.92 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(21), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(11) bond length is 1.56 Å. The P(1)-O(21) bond length is 1.58 Å. The P(1)-O(24) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(10), one O(14), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, and  a cornercorner with one Mn(2)O5 trigonal bipyramid. The P(2)-O(10) bond length is 1.56 Å. The P(2)-O(14) bond length is 1.58 Å. The P(2)-O(2) bond length is 1.50 Å. The P(2)-O(3) bond length is 1.59 Å. In the third P site, P(3) is bonded to one O(13), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The P(3)-O(13) bond length is 1.52 Å. The P(3)-O(5) bond length is 1.55 Å. The P(3)-O(6) bond length is 1.55 Å. The P(3)-O(8) bond length is 1.61 Å. In the fourth P site, P(4) is bonded to one O(12), one O(4), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The P(4)-O(12) bond length is 1.54 Å. The P(4)-O(4) bond length is 1.55 Å. The P(4)-O(7) bond length is 1.61 Å. The P(4)-O(9) bond length is 1.54 Å. In the fifth P site, P(5) is bonded to one O(15), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The P(5)-O(15) bond length is 1.54 Å. The P(5)-O(19) bond length is 1.60 Å. The P(5)-O(20) bond length is 1.55 Å. The P(5)-O(22) bond length is 1.54 Å. In the sixth P site, P(6) is bonded to one O(16), one O(17), one O(18), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and  a cornercorner with one Mn(6)O5 trigonal bipyramid. The P(6)-O(16) bond length is 1.54 Å. The P(6)-O(17) bond length is 1.53 Å. The P(6)-O(18) bond length is 1.59 Å. The P(6)-O(23) bond length is 1.56 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(6) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Mn(5), and one P(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Mn(4), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one P(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(3), one Mn(5), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(2), one Mn(3), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(3), one Mn(3), and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), one Mn(5), one Mn(6), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Mn(4), one Mn(5), one Mn(6), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(5) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Mn(6) and one P(1) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Mn(5) and one P(1) atom.