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 in a 2-coordinate geometry to one O(10), one O(13), one O(15), and one O(5) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(12), one O(14), one O(16), and one O(8) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one O(12), one O(2), one O(4), and one O(7) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one O(10), and one O(5) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(12), one O(16), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(4), and one O(6) atom. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to one O(14), one O(3), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one O(1), one O(14), one O(3), one O(5), and one O(9) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(4), and one O(7) atom. In the third P site, P(3) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(15), and one O(6) atom. In the fourth P site, P(4) is bonded in a 2-coordinate geometry to one O(12), one O(14), one O(16), one O(3), and one O(8) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(4) and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(3), one Mn(2), one P(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mn(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Mn(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Li(6), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one P(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted L-shaped geometry to one Li(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(2), one Li(6), 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 in a 2-coordinate geometry to one O(10), one O(13), one O(15), and one O(5) atom. The Li(1)-O(10) bond length is 1.97 Å. The Li(1)-O(13) bond length is 2.54 Å. The Li(1)-O(15) bond length is 1.90 Å. The Li(1)-O(5) bond length is 2.38 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(12), one O(14), one O(16), and one O(8) atom. The Li(2)-O(12) bond length is 1.66 Å. The Li(2)-O(14) bond length is 2.04 Å. The Li(2)-O(16) bond length is 2.02 Å. The Li(2)-O(8) bond length is 2.04 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(9) atom. The Li(3)-O(1) bond length is 2.01 Å. The Li(3)-O(3) bond length is 2.04 Å. The Li(3)-O(5) bond length is 1.66 Å. The Li(3)-O(9) bond length is 2.04 Å. In the fourth Li site, Li(4) is bonded in a 2-coordinate geometry to one O(12), one O(2), one O(4), and one O(7) atom. The Li(4)-O(12) bond length is 2.39 Å. The Li(4)-O(2) bond length is 1.93 Å. The Li(4)-O(4) bond length is 2.52 Å. The Li(4)-O(7) bond length is 1.98 Å. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one O(10), and one O(5) atom. The Li(5)-O(1) bond length is 1.91 Å. The Li(5)-O(10) bond length is 1.62 Å. The Li(5)-O(5) bond length is 1.96 Å. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(12), one O(16), and one O(7) atom. The Li(6)-O(12) bond length is 1.95 Å. The Li(6)-O(16) bond length is 1.91 Å. The Li(6)-O(7) bond length is 1.63 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(4), and one O(6) atom. The Mn(1)-O(11) bond length is 1.71 Å. The Mn(1)-O(13) bond length is 2.20 Å. The Mn(1)-O(4) bond length is 2.19 Å. The Mn(1)-O(6) bond length is 1.71 Å. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to one O(14), one O(3), one O(8), and one O(9) atom. The Mn(2)-O(14) bond length is 1.98 Å. The Mn(2)-O(3) bond length is 1.98 Å. The Mn(2)-O(8) bond length is 1.37 Å. The Mn(2)-O(9) bond length is 1.37 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one O(1), one O(14), one O(3), one O(5), and one O(9) atom. The P(1)-O(1) bond length is 1.33 Å. The P(1)-O(14) bond length is 2.22 Å. The P(1)-O(3) bond length is 1.84 Å. The P(1)-O(5) bond length is 2.12 Å. The P(1)-O(9) bond length is 1.42 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(4), and one O(7) atom. The P(2)-O(11) bond length is 1.25 Å. The P(2)-O(2) bond length is 1.52 Å. The P(2)-O(4) bond length is 2.17 Å. The P(2)-O(7) bond length is 1.71 Å. In the third P site, P(3) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(15), and one O(6) atom. The P(3)-O(10) bond length is 1.71 Å. The P(3)-O(13) bond length is 2.18 Å. The P(3)-O(15) bond length is 1.52 Å. The P(3)-O(6) bond length is 1.25 Å. In the fourth P site, P(4) is bonded in a 2-coordinate geometry to one O(12), one O(14), one O(16), one O(3), and one O(8) atom. The P(4)-O(12) bond length is 2.12 Å. The P(4)-O(14) bond length is 1.84 Å. The P(4)-O(16) bond length is 1.33 Å. The P(4)-O(3) bond length is 2.21 Å. The P(4)-O(8) bond length is 1.41 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(4) and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(3), one Mn(2), one P(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mn(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Mn(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Li(6), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one P(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted L-shaped geometry to one Li(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(2), one Li(6), and one P(4) atom.