Li3MnCO3PO4 crystallizes in the monoclinic P2_1/c 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(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), 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 to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O5 trigonal bipyramids and corners with four equivalent Li(3)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the second O site, O(7) is bonded in a tetrahedral geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth 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 fifth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom.
Li3MnCO3PO4 crystallizes in the monoclinic P2_1/c 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(1), one O(2), one O(4), and one O(5) atom. The Li(1)-O(1) bond length is 1.90 Å. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(4) bond length is 2.07 Å. The Li(1)-O(5) bond length is 2.18 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The Li(2)-O(2) bond length is 2.33 Å. The Li(2)-O(3) bond length is 2.27 Å. The Li(2)-O(4) bond length is 2.04 Å. The Li(2)-O(6) bond length is 2.00 Å. The Li(2)-O(7) bond length is 2.02 Å. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The Li(3)-O(3) bond length is 2.19 Å. The Li(3)-O(4) bond length is 2.01 Å. The Li(3)-O(5) bond length is 2.03 Å. The Li(3)-O(6) bond length is 2.04 Å. The Li(3)-O(7) bond length is 1.98 Å. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. The Mn(1)-O(1) bond length is 2.35 Å. The Mn(1)-O(2) bond length is 2.16 Å. The Mn(1)-O(3) bond length is 2.17 Å. The Mn(1)-O(5) bond length is 2.12 Å. The Mn(1)-O(6) bond length is 2.15 Å. The Mn(1)-O(7) bond length is 2.26 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 1.31 Å. The C(1)-O(3) bond length is 1.28 Å. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O5 trigonal bipyramids and corners with four equivalent Li(3)O5 trigonal bipyramids. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.53 Å. The P(1)-O(7) bond length is 1.55 Å. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the second O site, O(7) is bonded in a tetrahedral geometry to one Li(2), one Li(3), one Mn(1), and one P(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth 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 fifth O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Mn(1), and one P(1) atom.