LiMn2(PO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(13), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(16), and one O(5) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(3), one O(4), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(5), one O(6), one O(7), and one O(8) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(14), one O(2), one O(3), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(2), one O(5), and one O(6) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(11), one O(12), one O(15), and one O(7) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(13), one O(14), one O(16), and one O(8) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), 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(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Mn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), 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(4) 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(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(4), and one P(4) atom. In the fourteenth O site, O(14) is bonded in an L-shaped geometry to one Mn(4) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(4) atom.
LiMn2(PO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(13), one O(3), and one O(4) atom. The Li(1)-O(10) bond length is 2.03 Å. The Li(1)-O(13) bond length is 2.07 Å. The Li(1)-O(3) bond length is 1.99 Å. The Li(1)-O(4) bond length is 1.89 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(16), and one O(5) atom. The Li(2)-O(11) bond length is 1.99 Å. The Li(2)-O(12) bond length is 1.90 Å. The Li(2)-O(16) bond length is 2.03 Å. The Li(2)-O(5) bond length is 2.07 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(3), one O(4), one O(7), and one O(8) atom. The Mn(1)-O(15) bond length is 2.14 Å. The Mn(1)-O(16) bond length is 2.29 Å. The Mn(1)-O(3) bond length is 2.38 Å. The Mn(1)-O(4) bond length is 2.21 Å. The Mn(1)-O(7) bond length is 2.29 Å. The Mn(1)-O(8) bond length is 2.30 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(5), one O(6), one O(7), and one O(8) atom. The Mn(2)-O(11) bond length is 2.29 Å. The Mn(2)-O(15) bond length is 2.36 Å. The Mn(2)-O(5) bond length is 2.00 Å. The Mn(2)-O(6) bond length is 2.05 Å. The Mn(2)-O(7) bond length is 1.99 Å. The Mn(2)-O(8) bond length is 2.09 Å. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(9) atom. The Mn(3)-O(1) bond length is 2.28 Å. The Mn(3)-O(10) bond length is 2.29 Å. The Mn(3)-O(11) bond length is 2.39 Å. The Mn(3)-O(12) bond length is 2.20 Å. The Mn(3)-O(2) bond length is 2.30 Å. The Mn(3)-O(9) bond length is 2.14 Å. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(14), one O(2), one O(3), and one O(9) atom. The Mn(4)-O(1) bond length is 1.99 Å. The Mn(4)-O(13) bond length is 2.00 Å. The Mn(4)-O(14) bond length is 2.05 Å. The Mn(4)-O(2) bond length is 2.09 Å. The Mn(4)-O(3) bond length is 2.29 Å. The Mn(4)-O(9) bond length is 2.37 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(9) atom. The P(1)-O(1) bond length is 1.60 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(9) bond length is 1.54 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(2), one O(5), and one O(6) atom. The P(2)-O(10) bond length is 1.54 Å. The P(2)-O(2) bond length is 1.57 Å. The P(2)-O(5) 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 in a tetrahedral geometry to one O(11), one O(12), one O(15), and one O(7) atom. The P(3)-O(11) bond length is 1.57 Å. The P(3)-O(12) bond length is 1.53 Å. The P(3)-O(15) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.60 Å. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(13), one O(14), one O(16), and one O(8) atom. The P(4)-O(13) bond length is 1.58 Å. The P(4)-O(14) bond length is 1.57 Å. The P(4)-O(16) bond length is 1.54 Å. The P(4)-O(8) bond length is 1.56 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(4), 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(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Mn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), 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(4) 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(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Mn(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(4), and one P(4) atom. In the fourteenth O site, O(14) is bonded in an L-shaped geometry to one Mn(4) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(4) atom.