Li3MnCO3PO4 crystallizes in the monoclinic P2_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(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. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Mn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), 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. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form distorted OLi2MnC tetrahedra that share corners with two equivalent O(6)Li2MnP trigonal pyramids, corners with two equivalent O(5)Li3P trigonal pyramids, and  an edgeedge with one O(7)Li2MnP tetrahedra. In the third 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 fourth O site, O(4) 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. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form distorted OLi3P 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 sixth 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(5)Li3P trigonal pyramid, and  an edgeedge with one O(5)Li3P trigonal pyramid. In the seventh 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(5)Li3P trigonal pyramids, corners with four equivalent O(6)Li2MnP trigonal pyramids, and  an edgeedge with one O(2)Li2MnC tetrahedra.
Li3MnCO3PO4 crystallizes in the monoclinic P2_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(1), one O(2), one O(4), and one O(5) atom. The Li(1)-O(1) bond length is 1.91 Å. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(4) bond length is 2.26 Å. The Li(1)-O(5) bond length is 2.11 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. The Li(2)-O(2) bond length is 2.30 Å. The Li(2)-O(3) bond length is 2.50 Å. The Li(2)-O(5) bond length is 2.03 Å. The Li(2)-O(6) bond length is 2.07 Å. The Li(2)-O(7) bond length is 2.15 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Li(3)-O(3) bond length is 2.23 Å. The Li(3)-O(4) bond length is 2.13 Å. The Li(3)-O(5) bond length is 2.02 Å. The Li(3)-O(6) bond length is 2.13 Å. The Li(3)-O(7) bond length is 2.06 Å. Mn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(7) atom. The Mn(1)-O(2) bond length is 2.19 Å. The Mn(1)-O(3) bond length is 2.16 Å. The Mn(1)-O(4) 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 2.22 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 1.33 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. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.54 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(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), and one C(1) atom to form distorted OLi2MnC tetrahedra that share corners with two equivalent O(6)Li2MnP trigonal pyramids, corners with two equivalent O(5)Li3P trigonal pyramids, and  an edgeedge with one O(7)Li2MnP tetrahedra. In the third 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 fourth O site, O(4) 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. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form distorted OLi3P 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 sixth 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(5)Li3P trigonal pyramid, and  an edgeedge with one O(5)Li3P trigonal pyramid. In the seventh 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(5)Li3P trigonal pyramids, corners with four equivalent O(6)Li2MnP trigonal pyramids, and  an edgeedge with one O(2)Li2MnC tetrahedra.