LiMnPO4 is Chalcostibite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), 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 Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), 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(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom.
LiMnPO4 is Chalcostibite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. The Li(1)-O(1) bond length is 1.91 Å. The Li(1)-O(2) bond length is 2.10 Å. The Li(1)-O(7) bond length is 2.10 Å. The Li(1)-O(8) bond length is 1.91 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Li(2)-O(3) bond length is 2.04 Å. The Li(2)-O(4) bond length is 2.20 Å. The Li(2)-O(5) bond length is 2.15 Å. The Li(2)-O(6) bond length is 2.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. The Mn(1)-O(1) bond length is 2.14 Å. The Mn(1)-O(2) bond length is 2.35 Å. The Mn(1)-O(3) bond length is 2.13 Å. The Mn(1)-O(5) bond length is 2.15 Å. The Mn(1)-O(7) bond length is 2.26 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(8) atom. The Mn(2)-O(2) bond length is 2.24 Å. The Mn(2)-O(4) bond length is 2.14 Å. The Mn(2)-O(6) bond length is 2.12 Å. The Mn(2)-O(7) bond length is 2.35 Å. The Mn(2)-O(8) bond length is 2.14 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. The P(1)-O(2) bond length is 1.58 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.57 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. The P(2)-O(1) bond length is 1.57 Å. The P(2)-O(5) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(7) bond length is 1.58 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), 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 Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), 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(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom.