Li3MnCO3PO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom.
Li3MnCO3PO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(7) atom. The Li(1)-O(2) bond length is 2.13 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(4) bond length is 2.14 Å. The Li(1)-O(7) bond length is 2.04 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. The Li(2)-O(1) bond length is 1.96 Å. The Li(2)-O(2) bond length is 2.03 Å. The Li(2)-O(3) bond length is 1.93 Å. The Li(2)-O(7) bond length is 2.19 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. The Li(3)-O(1) bond length is 1.89 Å. The Li(3)-O(4) bond length is 2.01 Å. The Li(3)-O(5) bond length is 2.04 Å. The Li(3)-O(6) bond length is 2.02 Å. Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Mn(1)-O(2) bond length is 2.31 Å. The Mn(1)-O(3) bond length is 2.29 Å. The Mn(1)-O(4) bond length is 2.27 Å. The Mn(1)-O(5) bond length is 2.15 Å. The Mn(1)-O(6) bond length is 2.17 Å. The Mn(1)-O(7) bond length is 2.21 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.30 Å. P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.57 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom.