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 in a 2-coordinate geometry to one P(5), one O(19), one O(20), and one O(8) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(12), one O(19), one O(20), and one O(7) atom. In the third Li site, Li(3) is bonded in a distorted linear geometry to one P(2), one O(17), one O(5), and one O(6) atom. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(20), one O(24), and one O(3) atom. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one O(1) and one O(24) atom. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 3-coordinate geometry to one O(14), one O(4), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded in a distorted bent 150 degrees geometry to one O(16) and one O(21) atom. In the sixth Mn site, Mn(6) is bonded in a 3-coordinate geometry to one O(12), one O(16), and one O(22) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one O(10) and one O(5) atom. In the second P site, P(2) is bonded in a 5-coordinate geometry to one Li(3), one O(10), one O(17), one O(23), and one O(5) atom. In the third P site, P(3) is bonded in a 2-coordinate geometry to one O(13), one O(14), and one O(2) atom. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(18), and one O(23) atom. In the fifth P site, P(5) is bonded in a 4-coordinate geometry to one Li(1), one O(15), one O(2), and one O(8) atom. In the sixth P site, P(6) is bonded in a distorted single-bond geometry to one O(15) and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one O(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one P(3), one P(5), and one O(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(1) and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one P(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Li(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Li(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Li(1) and one P(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(6) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one P(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(6), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Mn(4) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted L-shaped geometry to one P(5) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Mn(5) and one Mn(6) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one Li(3) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Li(2) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Mn(1) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one Mn(5) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Mn(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one P(2), one P(4), and one O(24) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), and one O(23) 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 in a 2-coordinate geometry to one P(5), one O(19), one O(20), and one O(8) atom. The Li(1)-P(5) bond length is 1.84 Å. The Li(1)-O(19) bond length is 1.67 Å. The Li(1)-O(20) bond length is 2.34 Å. The Li(1)-O(8) bond length is 1.18 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(12), one O(19), one O(20), and one O(7) atom. The Li(2)-O(12) bond length is 2.14 Å. The Li(2)-O(19) bond length is 1.70 Å. The Li(2)-O(20) bond length is 2.62 Å. The Li(2)-O(7) bond length is 1.69 Å. In the third Li site, Li(3) is bonded in a distorted linear geometry to one P(2), one O(17), one O(5), and one O(6) atom. The Li(3)-P(2) bond length is 2.01 Å. The Li(3)-O(17) bond length is 1.07 Å. The Li(3)-O(5) bond length is 2.38 Å. The Li(3)-O(6) bond length is 1.50 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(20), one O(24), and one O(3) atom. The Mn(1)-O(1) bond length is 2.04 Å. The Mn(1)-O(20) bond length is 2.55 Å. The Mn(1)-O(24) bond length is 1.67 Å. The Mn(1)-O(3) bond length is 2.26 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one O(1) and one O(24) atom. The Mn(2)-O(1) bond length is 2.71 Å. The Mn(2)-O(24) bond length is 1.94 Å. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to one O(3) and one O(9) atom. The Mn(3)-O(3) bond length is 1.14 Å. The Mn(3)-O(9) bond length is 1.54 Å. In the fourth Mn site, Mn(4) is bonded in a 3-coordinate geometry to one O(14), one O(4), and one O(9) atom. The Mn(4)-O(14) bond length is 2.01 Å. The Mn(4)-O(4) bond length is 1.43 Å. The Mn(4)-O(9) bond length is 1.84 Å. In the fifth Mn site, Mn(5) is bonded in a distorted bent 150 degrees geometry to one O(16) and one O(21) atom. The Mn(5)-O(16) bond length is 1.71 Å. The Mn(5)-O(21) bond length is 1.15 Å. In the sixth Mn site, Mn(6) is bonded in a 3-coordinate geometry to one O(12), one O(16), and one O(22) atom. The Mn(6)-O(12) bond length is 1.97 Å. The Mn(6)-O(16) bond length is 1.62 Å. The Mn(6)-O(22) bond length is 1.46 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one O(10) and one O(5) atom. The P(1)-O(10) bond length is 1.27 Å. The P(1)-O(5) bond length is 2.31 Å. In the second P site, P(2) is bonded in a 5-coordinate geometry to one Li(3), one O(10), one O(17), one O(23), and one O(5) atom. The P(2)-O(10) bond length is 1.32 Å. The P(2)-O(17) bond length is 2.00 Å. The P(2)-O(23) bond length is 1.88 Å. The P(2)-O(5) bond length is 2.32 Å. In the third P site, P(3) is bonded in a 2-coordinate geometry to one O(13), one O(14), and one O(2) atom. The P(3)-O(13) bond length is 1.37 Å. The P(3)-O(14) bond length is 1.72 Å. The P(3)-O(2) bond length is 2.16 Å. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(18), and one O(23) atom. The P(4)-O(11) bond length is 1.53 Å. The P(4)-O(12) bond length is 1.65 Å. The P(4)-O(18) bond length is 2.31 Å. The P(4)-O(23) bond length is 1.91 Å. In the fifth P site, P(5) is bonded in a 4-coordinate geometry to one Li(1), one O(15), one O(2), and one O(8) atom. The P(5)-O(15) bond length is 1.54 Å. The P(5)-O(2) bond length is 1.81 Å. The P(5)-O(8) bond length is 1.90 Å. In the sixth P site, P(6) is bonded in a distorted single-bond geometry to one O(15) and one O(9) atom. The P(6)-O(15) bond length is 1.42 Å. The P(6)-O(9) bond length is 2.13 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one O(2) atom. The O(1)-O(2) bond length is 1.45 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one P(3), one P(5), and one O(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(1) and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one P(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Li(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Li(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Li(1) and one P(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(6) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one P(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Li(2), one Mn(6), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Mn(4) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted L-shaped geometry to one P(5) and one P(6) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Mn(5) and one Mn(6) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one Li(3) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Li(2) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Mn(1) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one Mn(5) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Mn(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one P(2), one P(4), and one O(24) atom. The O(23)-O(24) bond length is 1.43 Å. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), and one O(23) atom.