KLi2MnCPO7 crystallizes in the monoclinic P2_1 space group. K(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 to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. Mn(1) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. 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  a cornercorner with one Li(1)O4 tetrahedra and corners with four equivalent Mn(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), 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 3-coordinate geometry to one Li(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Mn(1), and one P(1) atom.
KLi2MnCPO7 crystallizes in the monoclinic P2_1 space group. K(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 K(1)-O(1) bond length is 2.78 Å. The K(1)-O(2) bond length is 2.97 Å. The K(1)-O(3) bond length is 2.92 Å. The K(1)-O(5) bond length is 2.66 Å. The K(1)-O(6) bond length is 2.73 Å. The K(1)-O(7) bond length is 2.60 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. The Li(1)-O(1) bond length is 2.08 Å. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(3) bond length is 2.21 Å. The Li(1)-O(6) bond length is 2.07 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. The Li(2)-O(1) bond length is 1.91 Å. The Li(2)-O(3) bond length is 2.09 Å. The Li(2)-O(4) bond length is 1.87 Å. Mn(1) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. The Mn(1)-O(3) bond length is 2.29 Å. The Mn(1)-O(4) bond length is 2.26 Å. The Mn(1)-O(5) bond length is 2.15 Å. The Mn(1)-O(6) bond length is 2.14 Å. The Mn(1)-O(7) bond length is 2.04 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 1.29 Å. The C(1)-O(2) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.32 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  a cornercorner with one Li(1)O4 tetrahedra and corners with four equivalent Mn(1)O5 trigonal bipyramids. The P(1)-O(4) bond length is 1.57 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.57 Å. The P(1)-O(7) bond length is 1.55 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one K(1), one Li(1), one Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), 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 3-coordinate geometry to one Li(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Mn(1), and one P(1) atom.