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(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. 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 three equivalent Mn(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(6) is bonded to one Li(2), one Li(3), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(2)Li2MnC tetrahedra, corners with four equivalent O(7)Li2MnP tetrahedra,  a cornercorner with one O(4)Li2MnP trigonal pyramid, and  an edgeedge with one O(4)Li2MnP trigonal pyramid. In the second O site, O(7) is bonded to one Li(2), one Li(3), one Mn(1), and one P(1) atom to form OLi2MnP tetrahedra that share corners with three equivalent O(4)Li2MnP trigonal pyramids, corners with four equivalent O(6)Li2MnP trigonal pyramids, and  an edgeedge with one O(2)Li2MnC tetrahedra. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(3), and one C(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2MnC tetrahedra. In the fifth O site, O(3) is bonded in a 4-coordinate 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 to one Li(1), one Li(3), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(2)Li2MnC tetrahedra, corners with three equivalent O(7)Li2MnP tetrahedra,  a cornercorner with one O(6)Li2MnP trigonal pyramid, and  an edgeedge with one O(6)Li2MnP trigonal pyramid. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), 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 1.92 Å. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(4) bond length is 2.23 Å. The Li(1)-O(5) bond length is 2.17 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 trigonal bipyramids. The Li(2)-O(2) bond length is 2.26 Å. The Li(2)-O(3) bond length is 2.47 Å. The Li(2)-O(5) bond length is 2.05 Å. The Li(2)-O(6) bond length is 2.06 Å. The Li(2)-O(7) bond length is 2.14 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Li(3)-O(1) bond length is 2.52 Å. The Li(3)-O(3) bond length is 2.25 Å. The Li(3)-O(4) bond length is 2.07 Å. The Li(3)-O(5) bond length is 2.03 Å. The Li(3)-O(6) bond length is 2.12 Å. The Li(3)-O(7) bond length is 2.06 Å. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. The Mn(1)-O(2) bond length is 2.18 Å. The Mn(1)-O(3) bond length is 2.17 Å. The Mn(1)-O(4) bond length is 2.16 Å. The Mn(1)-O(6) bond length is 2.17 Å. The Mn(1)-O(7) bond length is 2.23 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 1.32 Å. The C(1)-O(3) bond length is 1.30 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 three equivalent Mn(1)O5 trigonal bipyramids. 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 1.55 Å. The P(1)-O(7) bond length is 1.57 Å. There are seven inequivalent O sites. In the first O site, O(6) is bonded to one Li(2), one Li(3), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(2)Li2MnC tetrahedra, corners with four equivalent O(7)Li2MnP tetrahedra,  a cornercorner with one O(4)Li2MnP trigonal pyramid, and  an edgeedge with one O(4)Li2MnP trigonal pyramid. In the second O site, O(7) is bonded to one Li(2), one Li(3), one Mn(1), and one P(1) atom to form OLi2MnP tetrahedra that share corners with three equivalent O(4)Li2MnP trigonal pyramids, corners with four equivalent O(6)Li2MnP trigonal pyramids, and  an edgeedge with one O(2)Li2MnC tetrahedra. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(3), and one C(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing OLi2MnC tetrahedra. In the fifth O site, O(3) is bonded in a 4-coordinate 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 to one Li(1), one Li(3), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(2)Li2MnC tetrahedra, corners with three equivalent O(7)Li2MnP tetrahedra,  a cornercorner with one O(6)Li2MnP trigonal pyramid, and  an edgeedge with one O(6)Li2MnP trigonal pyramid. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom.