NaLi2MnCPO7 crystallizes in the triclinic P-1 space group. Na(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. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with three equivalent P(1)O4 tetrahedra. Mn(1) 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. 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)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Li(1), one Li(2), and one C(1) atom to form distorted ONaLi2C tetrahedra that share corners with two equivalent O(4)Li2MnP tetrahedra and  an edgeedge with one O(6)NaLiMnP tetrahedra. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted OLi2MnP tetrahedra that share corners with two equivalent O(1)NaLi2C tetrahedra and corners with three equivalent O(6)NaLiMnP tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Na(1), one Li(2), one Mn(1), and one P(1) atom to form distorted ONaLiMnP tetrahedra that share corners with three equivalent O(4)Li2MnP tetrahedra and  an edgeedge with one O(1)NaLi2C tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Li(2), one Mn(1), and one P(1) atom.
NaLi2MnCPO7 crystallizes in the triclinic P-1 space group. Na(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 Na(1)-O(1) bond length is 2.41 Å. The Na(1)-O(2) bond length is 2.54 Å. The Na(1)-O(3) bond length is 2.42 Å. The Na(1)-O(5) bond length is 2.39 Å. The Na(1)-O(6) bond length is 2.55 Å. The Na(1)-O(7) bond length is 2.56 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. The Li(1)-O(1) bond length is 2.01 Å. The Li(1)-O(2) bond length is 1.96 Å. The Li(1)-O(4) bond length is 2.02 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with three equivalent P(1)O4 tetrahedra. The Li(2)-O(1) bond length is 2.02 Å. The Li(2)-O(4) bond length is 2.06 Å. The Li(2)-O(6) bond length is 2.00 Å. The Li(2)-O(7) bond length is 2.05 Å. Mn(1) 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 Mn(1)-O(3) bond length is 2.18 Å. The Mn(1)-O(4) bond length is 2.22 Å. The Mn(1)-O(5) bond length is 2.13 Å. The Mn(1)-O(6) bond length is 2.13 Å. The Mn(1)-O(7) bond length is 2.17 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 1.30 Å. The C(1)-O(2) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.31 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)O4 tetrahedra. The P(1)-O(4) bond length is 1.57 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.56 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Li(1), one Li(2), and one C(1) atom to form distorted ONaLi2C tetrahedra that share corners with two equivalent O(4)Li2MnP tetrahedra and  an edgeedge with one O(6)NaLiMnP tetrahedra. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted OLi2MnP tetrahedra that share corners with two equivalent O(1)NaLi2C tetrahedra and corners with three equivalent O(6)NaLiMnP tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded to one Na(1), one Li(2), one Mn(1), and one P(1) atom to form distorted ONaLiMnP tetrahedra that share corners with three equivalent O(4)Li2MnP tetrahedra and  an edgeedge with one O(1)NaLi2C tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Li(2), one Mn(1), and one P(1) atom.